Type:
Small moleculeAlogP:
3.15Polar Surface Area:
26.56HBA:
1HBD:
---#RO5 Violations:
---#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.33DETAILS
Type:
Small moleculeAlogP:
1.90Polar Surface Area:
9.26HBA:
1HBD:
---#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.39DETAILS
Type:
Small moleculeAlogP:
1.79Polar Surface Area:
26.33HBA:
1HBD:
---#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.39DETAILS
Type:
Small moleculeAlogP:
2.29Polar Surface Area:
9.26HBA:
1HBD:
---#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.40DETAILS
Type:
Small moleculeAlogP:
2.18Polar Surface Area:
26.33HBA:
1HBD:
---#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.40DETAILS-
Type:
Small moleculeAlogP:
1.52Polar Surface Area:
9.26HBA:
1HBD:
---#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.38DETAILS - ALA3277079
Name:
N,N-diallyl-P,P-di(aziridin-1-yl)phosphinic amideCas Number:
41657-18-5Mol. Formula:
C10H18N3OPM.W.:
227.25Type:
Small moleculeAlogP:
1.40Polar Surface Area:
26.33HBA:
1HBD:
---#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.37DETAILS -
Type:
Small moleculeAlogP:
1.19Polar Surface Area:
105.59HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.33DETAILS -
Type:
Small moleculeAlogP:
1.18Polar Surface Area:
135.15HBA:
10HBD:
1#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.45DETAILS -
Type:
Small moleculeAlogP:
1.55Polar Surface Area:
107.46HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.59DETAILS -
Type:
Small moleculeAlogP:
0.11Polar Surface Area:
81.16HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.60DETAILS -
Type:
Small moleculeAlogP:
-0.20Polar Surface Area:
81.16HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.57DETAILS - ALA3246954
Name:
4-(bis(2-chloroethyl)amino)phenyl 3-nitrobenzoateCas Number:
22953-58-8Mol. Formula:
C17H16Cl2N2O4M.W.:
383.23Type:
Small moleculeAlogP:
4.10Polar Surface Area:
72.68HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.23DETAILS -
Type:
Small moleculeAlogP:
4.20Polar Surface Area:
38.77HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.40DETAILS - ALA3246952
Name:
4-(bis(2-chloroethyl)amino)phenyl 4-fluorobenzoateCas Number:
22953-56-6Mol. Formula:
C17H16Cl2FNO2M.W.:
356.22Type:
Small moleculeAlogP:
4.33Polar Surface Area:
29.54HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.42DETAILS - ALA3246951
Name:
4-(bis(2-chloroethyl)amino)phenyl 3-fluorobenzoateCas Number:
22953-55-5Mol. Formula:
C17H16Cl2FNO2M.W.:
356.22Type:
Small moleculeAlogP:
4.33Polar Surface Area:
29.54HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.42DETAILS - ALA3246950
Name:
4-(bis(2-chloroethyl)amino)phenyl 3-chlorobenzoateCas Number:
22953-54-4Mol. Formula:
C17H16Cl3NO2M.W.:
372.68Type:
Small moleculeAlogP:
4.84Polar Surface Area:
29.54HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.40DETAILS - ALA3246949
Name:
4-(bis(2-chloroethyl)amino)phenyl 4-bromobenzoateCas Number:
22953-53-3Mol. Formula:
C17H16BrCl2NO2M.W.:
417.13Type:
Small moleculeAlogP:
4.95Polar Surface Area:
29.54HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.36DETAILS - ALA3246948
Name:
4-(bis(2-chloroethyl)amino)phenyl 3-bromobenzoateCas Number:
22953-52-2Mol. Formula:
C17H16BrCl2NO2M.W.:
417.13Type:
Small moleculeAlogP:
4.95Polar Surface Area:
29.54HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.36DETAILS -
Type:
Small moleculeAlogP:
4.81Polar Surface Area:
29.54HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.40DETAILS
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