Type:
Small moleculeAlogP:
0.21Polar Surface Area:
86.63HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.64DETAILS
Type:
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
L-Kynurenine HydrateName:
2-ammonio-4-(2-ammoniophenyl)-4-oxo-(2S)-butanoateMol. 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
ALA120534Name:
2-Amino-4-hydroxy-4-(3-hydroxy-phenyl)-butyric acidMol. Formula:
C10H13NO4M.W.:
211.22Type:
Small moleculeAlogP:
0.23Polar Surface Area:
103.78HBA:
4HBD:
4#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.57DETAILS-
Type:
Small moleculeAlogP:
0.67Polar Surface Area:
80.39HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.69DETAILS - ALA85072
Name:
(R)-2-Benzyloxycarbonylamino-3-(methoxy-phenyl-phosphinoyl)-propionic acidMol. Formula:
C18H20NO6PM.W.:
377.33Type:
Small moleculeAlogP:
2.62Polar Surface Area:
101.93HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.69DETAILS - ALA88626
Name:
(R)-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 -
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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