Type:
Small moleculeAlogP:
-2.88Polar Surface Area:
251.38HBA:
14HBD:
9#RO5 Violations:
3#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.10DETAILS
Type:
Small moleculeAlogP:
2.06Polar Surface Area:
75.99HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.73DETAILS
Type:
Small moleculeAlogP:
2.06Polar Surface Area:
75.99HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.58DETAILS
Type:
Small moleculeAlogP:
2.06Polar Surface Area:
75.99HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.58DETAILS
Type:
Small moleculeAlogP:
5.35Polar Surface Area:
74.60HBA:
4HBD:
2#RO5 Violations:
1#Rotatable Bonds:
14Passes Ro3:
NQED Weighted:
0.25DETAILS-
Type:
Small moleculeAlogP:
6.38Polar Surface Area:
54.37HBA:
3HBD:
1#RO5 Violations:
1#Rotatable Bonds:
14Passes Ro3:
NQED Weighted:
0.23DETAILS -
Type:
Small moleculeAlogP:
7.94Polar Surface Area:
72.83HBA:
5HBD:
1#RO5 Violations:
1#Rotatable Bonds:
18Passes Ro3:
NQED Weighted:
0.17DETAILS -
Type:
Small moleculeAlogP:
3.26Polar Surface Area:
72.83HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.64DETAILS -
Type:
Small moleculeAlogP:
2.48Polar Surface Area:
72.83HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.86DETAILS -
Type:
Small moleculeAlogP:
5.95Polar Surface Area:
54.37HBA:
3HBD:
1#RO5 Violations:
1#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.39DETAILS -
Type:
Small moleculeAlogP:
3.61Polar Surface Area:
54.37HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.83DETAILS -
Type:
Small moleculeAlogP:
2.33Polar Surface Area:
63.60HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.49DETAILS -
Type:
Small moleculeAlogP:
5.80Polar Surface Area:
46.53HBA:
2HBD:
1#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.67DETAILS -
Type:
Small moleculeAlogP:
0.85Polar Surface Area:
86.99HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.69DETAILS -
Type:
Small moleculeAlogP:
4.37Polar Surface Area:
122.52HBA:
8HBD:
3#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.30DETAILS -
Type:
Small moleculeAlogP:
4.63Polar Surface Area:
46.53HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.74DETAILS - ALA469159
Name:
2,2-dimethyl-2H-1-benzopyran-6-carboxylic acidCas Number:
34818-56-9Mol. Formula:
C12H12O3M.W.:
204.22Type:
Small moleculeAlogP:
2.57Polar Surface Area:
46.53HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.76DETAILS -
Type:
Small moleculeAlogP:
2.36Polar Surface Area:
55.76HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.76DETAILS - ALA489132
Name:
methyl 2,2-dimethyl-2H-1-benzopyran-6-carboxylateCas Number:
34818-57-0Mol. Formula:
C13H14O3M.W.:
218.25Type:
Small moleculeAlogP:
2.66Polar Surface Area:
35.53HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.68DETAILS -
Type:
Small moleculeAlogP:
4.17Polar Surface Area:
35.53HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.62DETAILS
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