Type:
---AlogP:
3.34Polar Surface Area:
88.80HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.34DETAILS
Type:
---AlogP:
3.59Polar Surface Area:
52.19HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.68DETAILS
Type:
---AlogP:
4.37Polar Surface Area:
52.19HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.64DETAILS
Type:
---AlogP:
3.91Polar Surface Area:
52.19HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.70DETAILS
Type:
---AlogP:
4.30Polar Surface Area:
52.19HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.69DETAILS-
Type:
---AlogP:
3.28Polar Surface Area:
52.19HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.69DETAILS -
Type:
---AlogP:
4.84Polar Surface Area:
52.19HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.59DETAILS -
Type:
---AlogP:
3.67Polar Surface Area:
52.19HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.71DETAILS -
Type:
---AlogP:
2.82Polar Surface Area:
156.70HBA:
8HBD:
3#RO5 Violations:
1#Rotatable Bonds:
15Passes Ro3:
NQED Weighted:
0.21DETAILS -
Type:
---AlogP:
2.79Polar Surface Area:
52.19HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.64DETAILS -
Type:
---AlogP:
4.06Polar Surface Area:
52.19HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.71DETAILS -
Type:
UnknownAlogP:
2.59Polar Surface Area:
161.63HBA:
9HBD:
3#RO5 Violations:
1#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.21DETAILS -
Type:
Small moleculeAlogP:
4.97Polar Surface Area:
94.72HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.41DETAILS - ALA4218778
Name:
2-(4,5-dimethoxy-2-nitrophenyl)-1-(pyridin-3-yl)ethanolMol. Formula:
C15H16N2O5M.W.:
304.30Type:
Small moleculeAlogP:
2.28Polar Surface Area:
94.72HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.65DETAILS - ALA4217871
Name:
2-(4,5-Dimethoxy-2-nitrophenyl)-1-(4-morpholinophenyl)ethanolMol. Formula:
C20H24N2O6M.W.:
388.42Type:
Small moleculeAlogP:
2.72Polar Surface Area:
94.30HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.58DETAILS - ALA4215933
Name:
(R)-2-(4,5-dimethoxy-2-nitrophenyl)-1-(4-(trifluoromethyl)phenyl)ethanolMol. Formula:
C17H16F3NO5M.W.:
371.31Type:
Small moleculeAlogP:
3.91Polar Surface Area:
81.83HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.62DETAILS - ALA4215826
Name:
(R)-4-(2-(4,5-dimethoxy-2-nitrophenyl)-1-hydroxyethyl)benzonitrileMol. Formula:
C17H16N2O5M.W.:
328.32Type:
Small moleculeAlogP:
2.76Polar Surface Area:
105.62HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.65DETAILS - ALA4215612
Name:
2-(4,5-Dimethoxy-2-nitrophenyl)-1-(4-(pyrimidin-5-yl)phenyl)ethanolMol. Formula:
C20H19N3O5M.W.:
381.39Type:
Small moleculeAlogP:
3.35Polar Surface Area:
107.61HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.49DETAILS - ALA4215033
Name:
1-(4-(1H-Pyrazol-1-yl)phenyl)-2-(4,5-dimethoxy-2-nitrophenyl)ethanolMol. Formula:
C19H19N3O5M.W.:
369.38Type:
Small moleculeAlogP:
3.07Polar Surface Area:
99.65HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.51DETAILS - ALA4214505
Name:
1-(4-(1H-1,2,4-Triazol-1-yl)phenyl)-2-(4,5-dimethoxy-2-nitrophenyl)ethanolMol. Formula:
C18H18N4O5M.W.:
370.37Type:
Small moleculeAlogP:
2.47Polar Surface Area:
112.54HBA:
8HBD:
1#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.50DETAILS
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