ALA4758386Name:
3-(4,5-dinitronaphthalen-1-ylamino)benzoic acidMol. Formula:
C17H11N3O6M.W.:
353.29Type:
UnknownAlogP:
4.10Polar Surface Area:
135.61HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.52DETAILS
Type:
UnknownAlogP:
4.48Polar Surface Area:
66.40HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.70DETAILS
Type:
Small moleculeAlogP:
3.03Polar Surface Area:
103.70HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.73DETAILS
Type:
Small moleculeAlogP:
4.28Polar Surface Area:
81.47HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.44DETAILS
Type:
Small moleculeAlogP:
3.05Polar Surface Area:
101.70HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.65DETAILS-
Type:
Small moleculeAlogP:
4.06Polar Surface Area:
92.47HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.65DETAILS -
Type:
Small moleculeAlogP:
2.41Polar Surface Area:
36.02HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.81DETAILS -
Type:
Small moleculeAlogP:
1.27Polar Surface Area:
45.25HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.83DETAILS - ALA3103362
Name:
Morpholino(4-(p-tolyl)piperazin-1-yl)methanoneMol. Formula:
C16H23N3O2M.W.:
289.38Type:
Small moleculeAlogP:
1.57Polar Surface Area:
36.02HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.79DETAILS -
Type:
Small moleculeAlogP:
1.91Polar Surface Area:
36.02HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.79DETAILS -
Type:
Small moleculeAlogP:
2.28Polar Surface Area:
36.02HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.78DETAILS -
Type:
Small moleculeAlogP:
1.91Polar Surface Area:
36.02HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.79DETAILS -
Type:
Small moleculeAlogP:
1.17Polar Surface Area:
79.16HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.60DETAILS -
Type:
Small moleculeAlogP:
0.66Polar Surface Area:
70.16HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.78DETAILS -
Type:
Small moleculeAlogP:
1.24Polar Surface Area:
36.02HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.73DETAILS -
Type:
Small moleculeAlogP:
1.81Polar Surface Area:
48.91HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.80DETAILS -
Type:
Small moleculeAlogP:
2.63Polar Surface Area:
26.79HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.79DETAILS -
Type:
Small moleculeAlogP:
1.55Polar Surface Area:
53.09HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.78DETAILS -
Type:
Small moleculeAlogP:
1.91Polar Surface Area:
36.02HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.83DETAILS -
Type:
Small moleculeAlogP:
1.31Polar Surface Area:
48.91HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.73DETAILS
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