Type:
UnknownAlogP:
1.74Polar Surface Area:
115.81HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.52DETAILS
Type:
Small moleculeAlogP:
5.18Polar Surface Area:
65.26HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.73DETAILS
Type:
Small moleculeAlogP:
5.54Polar Surface Area:
72.28HBA:
5HBD:
1#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.39DETAILS
ALA3814600Name:
4'-((3-Fluoro-4-morpholinophenylamino)methyl)biphenyl-2-carbonitrileMol. Formula:
C24H22FN3OM.W.:
387.46Type:
Small moleculeAlogP:
4.81Polar Surface Area:
48.29HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.68DETAILS
ALA3814987Name:
4'-((6-Methoxybenzothiazol-2-ylamino)methyl)biphenyl-2-carbonitrileMol. Formula:
C22H17N3OSM.W.:
371.47Type:
Small moleculeAlogP:
5.46Polar Surface Area:
57.94HBA:
5HBD:
1#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.51DETAILS- ALA3814164
Name:
4'-((4H-1,2,4-Triazol-4-ylamino)methyl)biphenyl-2-carbonitrileMol. Formula:
C16H13N5M.W.:
275.31Type:
Small moleculeAlogP:
2.56Polar Surface Area:
66.53HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.79DETAILS - ALA3814494
Name:
4'-((Pyrazin-2-ylamino)methyl)biphenyl-2-carbonitrileMol. Formula:
C18H14N4M.W.:
286.34Type:
Small moleculeAlogP:
3.63Polar Surface Area:
61.60HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.80DETAILS - ALA3814111
Name:
4'-((3-(Trifluoromethyl)phenylamino)methyl)biphenyl-2-carbonitrileMol. Formula:
C21H15F3N2M.W.:
352.36Type:
Small moleculeAlogP:
5.86Polar Surface Area:
35.82HBA:
2HBD:
1#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.64DETAILS - ALA3814562
Name:
4'-((4-(Trifluoromethyl)phenylamino)methyl)biphenyl-2-carbonitrileMol. Formula:
C21H15F3N2M.W.:
352.36Type:
Small moleculeAlogP:
5.86Polar Surface Area:
35.82HBA:
2HBD:
1#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.64DETAILS - ALA3814974
Name:
4'-((4-Carboxyphenylamino)methyl)biphenyl-2-carbonitrileMol. Formula:
C21H16N2O2M.W.:
328.37Type:
Small moleculeAlogP:
4.54Polar Surface Area:
73.12HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.72DETAILS - ALA3815003
Name:
4'-((4-Chloro-2-nitrophenylamino)methyl)biphenyl-2-carbonitrileMol. Formula:
C20H14ClN3O2M.W.:
363.80Type:
Small moleculeAlogP:
5.40Polar Surface Area:
78.96HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.49DETAILS -
Type:
Small moleculeAlogP:
3.15Polar Surface Area:
89.95HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.37DETAILS -
Type:
Small moleculeAlogP:
1.68Polar Surface Area:
81.16HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.43DETAILS -
Type:
Small moleculeAlogP:
1.91Polar Surface Area:
83.47HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.59DETAILS -
Type:
Small moleculeAlogP:
2.35Polar Surface Area:
103.09HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.59DETAILS -
Type:
Small moleculeAlogP:
3.15Polar Surface Area:
101.98HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.50DETAILS -
Type:
Small moleculeAlogP:
4.12Polar Surface Area:
93.19HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.36DETAILS -
Type:
Small moleculeAlogP:
3.73Polar Surface Area:
93.19HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.37DETAILS -
Type:
Small moleculeAlogP:
3.24Polar Surface Area:
93.19HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.40DETAILS -
Type:
Small moleculeAlogP:
2.85Polar Surface Area:
93.19HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.41DETAILS
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