Type:
---AlogP:
2.56Polar Surface Area:
75.21HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.70DETAILS
Type:
Small moleculeAlogP:
5.68Polar Surface Area:
77.99HBA:
7HBD:
1#RO5 Violations:
2#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.33DETAILS
Type:
---AlogP:
2.48Polar Surface Area:
69.14HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.60DETAILS
Type:
UnknownAlogP:
3.75Polar Surface Area:
72.81HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.79DETAILS
Type:
Small moleculeAlogP:
4.68Polar Surface Area:
100.13HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.43DETAILS-
Type:
Small moleculeAlogP:
6.84Polar Surface Area:
88.13HBA:
7HBD:
---#RO5 Violations:
2#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.33DETAILS -
Type:
Small moleculeAlogP:
3.30Polar Surface Area:
68.15HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.82DETAILS -
Type:
Small moleculeAlogP:
3.30Polar Surface Area:
68.15HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.82DETAILS -
Type:
Small moleculeAlogP:
3.30Polar Surface Area:
68.15HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.82DETAILS - ALA2409059
Name:
(2S)-4'-hydroxy-7,3'-dimethoxyflavanCas Number:
116498-59-0Mol. Formula:
C17H18O4M.W.:
286.33Type:
Small moleculeAlogP:
3.48Polar Surface Area:
47.92HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.94DETAILS -
Type:
Small moleculeAlogP:
3.18Polar Surface Area:
68.15HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.85DETAILS -
Type:
Small moleculeAlogP:
2.88Polar Surface Area:
79.15HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.74DETAILS -
Type:
Small moleculeAlogP:
3.18Polar Surface Area:
68.15HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.85DETAILS -
Type:
Small moleculeAlogP:
3.18Polar Surface Area:
68.15HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.91DETAILS -
Type:
Small moleculeAlogP:
3.48Polar Surface Area:
57.15HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.94DETAILS -
Type:
Small moleculeAlogP:
5.38Polar Surface Area:
51.32HBA:
3HBD:
1#RO5 Violations:
1#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.41DETAILS -
Type:
Small moleculeAlogP:
4.69Polar Surface Area:
82.55HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.36DETAILS -
Type:
Small moleculeAlogP:
4.61Polar Surface Area:
42.09HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.51DETAILS - ALA1818861
Name:
1-(2'-Bromo-3'-hydroxy-3'-methylbutyl)mukonalMol. Formula:
C18H18BrNO3M.W.:
376.25Type:
Small moleculeAlogP:
3.92Polar Surface Area:
73.32HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.48DETAILS -
Type:
Small moleculeAlogP:
4.35Polar Surface Area:
77.84HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.29DETAILS
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