Type:
Small moleculeAlogP:
2.05Polar Surface Area:
26.30HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
YQED Weighted:
0.58DETAILS
ALA461985Name:
3,4-Dihydro-(3R),5-dimethyl-8-hydroxyisocoumarinCas Number:
7734-92-1Mol. Formula:
C11H12O3M.W.:
192.21Type:
Small moleculeAlogP:
1.80Polar Surface Area:
46.53HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
YQED Weighted:
0.64DETAILS
Type:
Small moleculeAlogP:
1.31Polar Surface Area:
63.60HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.56DETAILS
Type:
Small moleculeAlogP:
1.28Polar Surface Area:
72.83HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.74DETAILS
Type:
Small moleculeAlogP:
2.28Polar Surface Area:
55.76HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.82DETAILS-
Type:
Small moleculeAlogP:
1.94Polar Surface Area:
44.76HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.70DETAILS -
Type:
Small moleculeAlogP:
1.69Polar Surface Area:
61.83HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.59DETAILS -
Type:
Small moleculeAlogP:
1.60Polar Surface Area:
72.83HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.79DETAILS -
Type:
Small moleculeAlogP:
2.45Polar Surface Area:
96.97HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.53DETAILS -
Type:
Small moleculeAlogP:
4.07Polar Surface Area:
50.44HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.65DETAILS
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