Type:
Small moleculeAlogP:
0.21Polar Surface Area:
86.63HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.64DETAILS
ALA498415Name:
2-amino-3-hydroxyhippuric acidCas Number:
70441-00-8Mol. Formula:
C9H10N2O4M.W.:
210.19Type:
Small moleculeAlogP:
-0.21Polar Surface Area:
112.65HBA:
4HBD:
4#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.41DETAILS
Type:
Small moleculeAlogP:
-0.04Polar Surface Area:
126.64HBA:
5HBD:
4#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.32DETAILS
ALA498416Name:
2-ammonio-4-(2-ammoniophenyl)-4-oxo-(2S)-butanoateCas Number:
2922-83-0Mol. Formula:
C10H12N2O3M.W.:
208.22Type:
Small moleculeAlogP:
0.25Polar Surface Area:
106.41HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.49DETAILS
Type:
Small moleculeAlogP:
0.23Polar Surface Area:
103.78HBA:
4HBD:
4#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.57DETAILS- ALA315803
Name:
2-ammonio-4-oxo-4-phenyl-(2S)-butanoateCas Number:
119817-54-8Mol. Formula:
C10H11NO3M.W.:
193.20Type:
Small moleculeAlogP:
0.67Polar Surface Area:
80.39HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.69DETAILS -
Type:
Small moleculeAlogP:
2.62Polar Surface Area:
101.93HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.69DETAILS -
Type:
Small moleculeAlogP:
-0.55Polar Surface Area:
123.48HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.61DETAILS -
Type:
Small moleculeAlogP:
2.70Polar Surface Area:
90.93HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.55DETAILS
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