Type:
Small moleculeAlogP:
3.27Polar Surface Area:
141.75HBA:
6HBD:
3#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.45DETAILS
Type:
Small moleculeAlogP:
3.23Polar Surface Area:
141.75HBA:
6HBD:
3#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.46DETAILS
Type:
Small moleculeAlogP:
2.71Polar Surface Area:
160.21HBA:
8HBD:
3#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.38DETAILS
Type:
Small moleculeAlogP:
2.97Polar Surface Area:
141.75HBA:
6HBD:
3#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.44DETAILS
ALA3961121Name:
N-benzyl-7-(3-tosylureido)-4,5-dihydro-1H-benzo[d]azepine-3(2H)-carboxamideMol. Formula:
C26H28N4O4SM.W.:
492.60Type:
Small moleculeAlogP:
3.82Polar Surface Area:
107.61HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.50DETAILS-
Type:
Small moleculeAlogP:
3.31Polar Surface Area:
141.75HBA:
6HBD:
3#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.44DETAILS -
Type:
Small moleculeAlogP:
3.31Polar Surface Area:
141.75HBA:
6HBD:
3#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.44DETAILS -
Type:
Small moleculeAlogP:
3.60Polar Surface Area:
112.65HBA:
5HBD:
2#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.54DETAILS -
Type:
Small moleculeAlogP:
5.29Polar Surface Area:
141.75HBA:
6HBD:
3#RO5 Violations:
2#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.35DETAILS -
Type:
Small moleculeAlogP:
4.00Polar Surface Area:
141.75HBA:
6HBD:
3#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.41DETAILS -
Type:
Small moleculeAlogP:
4.00Polar Surface Area:
141.75HBA:
6HBD:
3#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.41DETAILS -
Type:
Small moleculeAlogP:
3.60Polar Surface Area:
112.65HBA:
5HBD:
2#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.54DETAILS -
Type:
Small moleculeAlogP:
4.96Polar Surface Area:
112.65HBA:
5HBD:
2#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.34DETAILS -
Type:
Small moleculeAlogP:
1.14Polar Surface Area:
61.60HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.30DETAILS - ALA258938
Name:
N-(4-nitrophenyl)-1,3-dioxo-2,3,4,5,6,7-hexahydro-1H-indene-2-carboxamideMol. Formula:
C16H14N2O5M.W.:
314.30Type:
Small moleculeAlogP:
2.17Polar Surface Area:
106.38HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.52DETAILS -
Type:
Small moleculeAlogP:
3.87Polar Surface Area:
63.24HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.81DETAILS - ALA259564
Name:
4,4-dimethyl-2,6-dioxo-N-(3-(trifluoromethyl)phenyl)cyclohexanecarboxamideMol. Formula:
C16H16F3NO3M.W.:
327.30Type:
Small moleculeAlogP:
3.22Polar Surface Area:
63.24HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.85DETAILS -
Type:
Small moleculeAlogP:
2.10Polar Surface Area:
61.60HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.36DETAILS - ALA261645
Name:
3-(3-(4-fluorophenyl)acryloyl)-5-methyl-5-phenylimidazolidine-2,4-dioneMol. Formula:
C19H15FN2O3M.W.:
338.34Type:
Small moleculeAlogP:
2.83Polar Surface Area:
66.48HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.69DETAILS -
Type:
Small moleculeAlogP:
3.11Polar Surface Area:
75.71HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.64DETAILS
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