Type:
Small moleculeAlogP:
2.94Polar Surface Area:
86.99HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.46DETAILS
Type:
Small moleculeAlogP:
5.61Polar Surface Area:
95.71HBA:
5HBD:
2#RO5 Violations:
1#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.38DETAILS
Type:
Small moleculeAlogP:
2.96Polar Surface Area:
98.95HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.61DETAILS
Type:
Small moleculeAlogP:
4.53Polar Surface Area:
98.95HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.44DETAILS
Type:
Small moleculeAlogP:
4.69Polar Surface Area:
115.94HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.37DETAILS-
Type:
Small moleculeAlogP:
5.59Polar Surface Area:
95.71HBA:
5HBD:
2#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.39DETAILS -
Type:
Small moleculeAlogP:
4.98Polar Surface Area:
95.71HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.54DETAILS -
Type:
Small moleculeAlogP:
4.95Polar Surface Area:
104.50HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.50DETAILS -
Type:
Small moleculeAlogP:
4.44Polar Surface Area:
95.71HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.59DETAILS -
Type:
Small moleculeAlogP:
4.44Polar Surface Area:
95.71HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.59DETAILS -
Type:
Small moleculeAlogP:
4.58Polar Surface Area:
95.71HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.59DETAILS -
Type:
Small moleculeAlogP:
4.59Polar Surface Area:
95.71HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.59DETAILS -
Type:
Small moleculeAlogP:
4.20Polar Surface Area:
95.71HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.62DETAILS - ALA3276548
Name:
5-Chloro-3'-nitro-4'-N-pyrrolidinosalicylanilideMol. Formula:
C17H16ClN3O4M.W.:
361.79Type:
Small moleculeAlogP:
3.81Polar Surface Area:
95.71HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.64DETAILS -
Type:
Small moleculeAlogP:
3.60Polar Surface Area:
101.70HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.64DETAILS -
Type:
Small moleculeAlogP:
5.65Polar Surface Area:
101.70HBA:
5HBD:
2#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.41DETAILS -
Type:
Small moleculeAlogP:
5.31Polar Surface Area:
101.70HBA:
5HBD:
2#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.45DETAILS -
Type:
Small moleculeAlogP:
5.31Polar Surface Area:
101.70HBA:
5HBD:
2#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.45DETAILS - ALA3276543
Name:
5-Chloro-3'-nitro-4'-phenoxysalicylanilideCas Number:
62450-22-0Mol. Formula:
C19H13ClN2O5M.W.:
384.78Type:
Small moleculeAlogP:
5.00Polar Surface Area:
101.70HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.48DETAILS - ALA3249539
Name:
5-isothiocyanato-2-(4-thiazolyl)-1H-benzimidazoleCas Number:
27217-02-3Mol. Formula:
C11H6N4S2M.W.:
258.33Type:
Small moleculeAlogP:
3.42Polar Surface Area:
53.93HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.57DETAILS
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