Type:
Small moleculeAlogP:
4.93Polar Surface Area:
80.67HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.54DETAILS
Type:
Small moleculeAlogP:
4.05Polar Surface Area:
66.84HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.83DETAILS
ALA3718513Name:
4-(4,4,7-trimethyl-8-nitrochroman-6-carbonyl)benzoic acidMol. Formula:
C20H19NO6M.W.:
369.37Type:
Small moleculeAlogP:
3.89Polar Surface Area:
106.74HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.50DETAILS
ALA3716703Name:
4-(7-ethoxy-4,4-dimethylchroman-6-carbonyl)benzoic acidMol. Formula:
C21H22O5M.W.:
354.40Type:
Small moleculeAlogP:
4.07Polar Surface Area:
72.83HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.82DETAILS
Type:
Small moleculeAlogP:
7.38Polar Surface Area:
68.12HBA:
4HBD:
1#RO5 Violations:
2#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.25DETAILS-
Type:
Small moleculeAlogP:
6.95Polar Surface Area:
68.12HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.25DETAILS -
Type:
Small moleculeAlogP:
7.48Polar Surface Area:
68.12HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.21DETAILS -
Type:
Small moleculeAlogP:
7.52Polar Surface Area:
61.69HBA:
3HBD:
2#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.30DETAILS -
Type:
Small moleculeAlogP:
7.28Polar Surface Area:
70.92HBA:
4HBD:
2#RO5 Violations:
2#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.26DETAILS -
Type:
Small moleculeAlogP:
6.60Polar Surface Area:
61.69HBA:
3HBD:
2#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.36DETAILS -
Type:
Small moleculeAlogP:
7.06Polar Surface Area:
49.33HBA:
2HBD:
2#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.41DETAILS -
Type:
Small moleculeAlogP:
7.04Polar Surface Area:
55.76HBA:
3HBD:
1#RO5 Violations:
1#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.43DETAILS -
Type:
Small moleculeAlogP:
8.96Polar Surface Area:
46.53HBA:
3HBD:
1#RO5 Violations:
2#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.30DETAILS -
Type:
Small moleculeAlogP:
7.49Polar Surface Area:
46.53HBA:
2HBD:
1#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.41DETAILS -
Type:
Small moleculeAlogP:
6.74Polar Surface Area:
83.47HBA:
3HBD:
2#RO5 Violations:
2#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.39DETAILS -
Type:
Small moleculeAlogP:
5.52Polar Surface Area:
106.74HBA:
5HBD:
1#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.33DETAILS -
Type:
Small moleculeAlogP:
5.18Polar Surface Area:
97.51HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.44DETAILS -
Type:
Small moleculeAlogP:
5.91Polar Surface Area:
63.60HBA:
3HBD:
1#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.59DETAILS -
Type:
Small moleculeAlogP:
4.98Polar Surface Area:
74.60HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.75DETAILS -
Type:
Small moleculeAlogP:
5.36Polar Surface Area:
63.60HBA:
3HBD:
1#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.71DETAILS
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