ALA158499Name:
(ortho-nitrobenzoyl)alanineCas Number:
6310-43-6Mol. Formula:
C10H10N2O5M.W.:
238.20Type:
Small moleculeAlogP:
0.58Polar Surface Area:
123.53HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.44DETAILS
Type:
Small moleculeAlogP:
0.07Polar Surface Area:
93.28HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.66DETAILS
ALA157866Name:
(para-nitrobenzoyl)alanineCas Number:
153212-72-7Mol. Formula:
C10H10N2O5M.W.:
238.20Type:
Small moleculeAlogP:
0.58Polar Surface Area:
123.53HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.44DETAILS
Type:
Small moleculeAlogP:
-0.24Polar Surface Area:
123.48HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.64DETAILS
Type:
Small moleculeAlogP:
-0.54Polar Surface Area:
132.71HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.61DETAILS-
Type:
Small moleculeAlogP:
-0.41Polar Surface Area:
123.48HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.63DETAILS - ALA280572
Name:
2-Amino-3-(2-amino-benzenesulfonyl)-propionic acidMol. Formula:
C9H12N2O4SM.W.:
244.27Type:
Small moleculeAlogP:
-0.55Polar Surface Area:
123.48HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.61DETAILS
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