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224,000+ 研究の概要 · Triple ISO certified · COA & SDS すべての製品に適用 · 在庫品は当日出荷 すべて選択
ALA5316228 Name:
Mol. Formula: C16H12ClNOS
M.W.: 301.80
Type: ---
AlogP: 5.44
Polar Surface Area: 35.25
HBA: 3
HBD: 1
#RO5 Violations: 1
#Rotatable Bonds: 3
Passes Ro3: N
QED Weighted: 0.70
DETAILS
CLOSE
ALA5316225 Name: N-(4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)p Show More
Mol. Formula: C37H50O16
M.W.: 750.79
Type: ---
AlogP: 1.27
Polar Surface Area: 243.52
HBA: 16
HBD: 8
#RO5 Violations: 3
#Rotatable Bonds: 13
Passes Ro3: N
QED Weighted: 0.08
DETAILS
CLOSE
ALA5316216 Name: 5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca Show More
Mol. Formula: C13H14ClN3
M.W.: 247.73
Type: ---
AlogP: 1.80
Polar Surface Area: 37.81
HBA: 3
HBD: 1
#RO5 Violations: ---
#Rotatable Bonds: ---
Passes Ro3: Y
QED Weighted: 0.72
DETAILS
CLOSE
ALA5316215 Name: MMV1802063
Mol. Formula: C35H42ClN5O8
M.W.: 696.20
Type: ---
AlogP: 5.60
Polar Surface Area: 98.94
HBA: 8
HBD: 1
#RO5 Violations: 2
#Rotatable Bonds: 7
Passes Ro3: N
QED Weighted: 0.30
DETAILS
CLOSE
ALA5316214 Name: DDD00099255
Mol. Formula: C9H18N2O2
M.W.: 186.25
Type: ---
AlogP: 0.28
Polar Surface Area: 58.20
HBA: 2
HBD: 2
#RO5 Violations: ---
#Rotatable Bonds: 4
Passes Ro3: N
QED Weighted: 0.66
DETAILS
CLOSE
ALA5316213 Name: MRT67307 HCl
Mol. Formula: C26H38Cl2N6O2
M.W.: 537.54
Type: ---
AlogP: 3.65
Polar Surface Area: 91.41
HBA: 7
HBD: 3
#RO5 Violations: ---
#Rotatable Bonds: 11
Passes Ro3: N
QED Weighted: 0.44
DETAILS
CLOSE
ALA5316212 Name: Ischemin sodium salt
Mol. Formula: C15H16N3NaO4S
M.W.: 357.37
Type: ---
AlogP: 3.56
Polar Surface Area: 125.34
HBA: 6
HBD: 3
#RO5 Violations: ---
#Rotatable Bonds: 3
Passes Ro3: N
QED Weighted: 0.45
DETAILS
CLOSE
ALA5316211 Name: DDD00097253
Mol. Formula: C16H18ClN3O3S
M.W.: 367.86
Type: ---
AlogP: 1.14
Polar Surface Area: 78.51
HBA: 4
HBD: 2
#RO5 Violations: ---
#Rotatable Bonds: 4
Passes Ro3: N
QED Weighted: 0.84
DETAILS
CLOSE
ALA5316209 Name: SPARTEINE HYDROIODIDE
Mol. Formula: C15H27IN2
M.W.: 362.30
Type: ---
AlogP: 2.35
Polar Surface Area: 6.48
HBA: 2
HBD: ---
#RO5 Violations: ---
#Rotatable Bonds: ---
Passes Ro3: Y
QED Weighted: 0.63
DETAILS
CLOSE
ALA5316208 Name:
Mol. Formula: C20H29NO
M.W.: 299.46
Type: ---
AlogP: 4.27
Polar Surface Area: 23.47
HBA: 2
HBD: 1
#RO5 Violations: ---
#Rotatable Bonds: 5
Passes Ro3: N
QED Weighted: 0.65
DETAILS
CLOSE
ALA5316200 Name: Endo-Norborneol
Mol. Formula: C7H12O
M.W.: 112.17
Type: ---
AlogP: 1.17
Polar Surface Area: 20.23
HBA: 1
HBD: 1
#RO5 Violations: ---
#Rotatable Bonds: ---
Passes Ro3: Y
QED Weighted: 0.50
DETAILS
CLOSE
ALA5316194 Name:
Mol. Formula: C33H40N2O7S
M.W.: 608.76
Type: ---
AlogP: 4.33
Polar Surface Area: 125.40
HBA: 7
HBD: 3
#RO5 Violations: 1
#Rotatable Bonds: 8
Passes Ro3: N
QED Weighted: 0.33
DETAILS
CLOSE
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