Type:
Small moleculeAlogP:
3.09Polar Surface Area:
83.83HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.80DETAILS
Type:
Small moleculeAlogP:
1.80Polar Surface Area:
133.52HBA:
7HBD:
4#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.46DETAILS
Type:
Small moleculeAlogP:
-1.13Polar Surface Area:
201.78HBA:
10HBD:
5#RO5 Violations:
---#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.24DETAILS
ALA2074749Name:
1-chloro-2,4-dinitrobenzen(2,4-dinitrophenyl-glutathione)Mol. Formula:
C22H22ClN7O14SM.W.:
675.97Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
S-(2,4-Dinitrophenyl)mercapturic AcidName:
N-acetyl-(2,4-dinitrophenyl)-cysteineMol. Formula:
C11H11N3O7SM.W.:
329.29Type:
Small moleculeAlogP:
1.18Polar Surface Area:
152.68HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.43DETAILS- 1-Naphthol β-D-glucuronide
Name:
alpha-naphthyl beta-D-glucuronideMol. Formula:
C16H16O7M.W.:
320.30Type:
Small moleculeAlogP:
0.11Polar Surface Area:
116.45HBA:
6HBD:
4#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.63DETAILS
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