Type:
Small moleculeAlogP:
5.86Polar Surface Area:
142.03HBA:
6HBD:
4#RO5 Violations:
2#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.23DETAILS
Type:
Small moleculeAlogP:
5.73Polar Surface Area:
142.03HBA:
6HBD:
4#RO5 Violations:
2#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.21DETAILS
Type:
Small moleculeAlogP:
5.03Polar Surface Area:
59.00HBA:
5HBD:
1#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.48DETAILS
Type:
Small moleculeAlogP:
6.11Polar Surface Area:
40.54HBA:
3HBD:
1#RO5 Violations:
1#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.36DETAILS
ALA204998Name:
1-(4-bromophenyl)-4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)butan-1-oneMol. Formula:
C28H30BrNO2M.W.:
492.46Type:
Small moleculeAlogP:
6.06Polar Surface Area:
40.54HBA:
3HBD:
1#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.39DETAILS- ALA383199
Name:
4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)-1-(4-methoxyphenyl)butan-1-oneMol. Formula:
C29H33NO3M.W.:
443.59Type:
Small moleculeAlogP:
5.31Polar Surface Area:
49.77HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.46DETAILS -
Type:
Small moleculeAlogP:
5.79Polar Surface Area:
66.84HBA:
5HBD:
1#RO5 Violations:
2#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.19DETAILS - ALA207832
Name:
1-(4-butylphenyl)-4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)butan-1-oneMol. Formula:
C32H39NO2M.W.:
469.67Type:
Small moleculeAlogP:
6.64Polar Surface Area:
40.54HBA:
3HBD:
1#RO5 Violations:
1#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.32DETAILS - ALA207831
Name:
1-(4-allylphenyl)-4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)butan-1-oneMol. Formula:
C31H35NO2M.W.:
453.63Type:
Small moleculeAlogP:
6.03Polar Surface Area:
40.54HBA:
3HBD:
1#RO5 Violations:
1#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.30DETAILS -
Type:
Small moleculeAlogP:
5.22Polar Surface Area:
60.77HBA:
4HBD:
2#RO5 Violations:
1#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.38DETAILS -
Type:
Small moleculeAlogP:
4.83Polar Surface Area:
60.77HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.43DETAILS - 4-[4-[hydroxy-di(phenyl)methyl]piperidin-1-yl]-1-(4-propylphenyl)butan-1-one
Name:
4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)-1-(4-propylphenyl)butan-1-oneMol. Formula:
C31H37NO2M.W.:
455.64Type:
Small moleculeAlogP:
6.25Polar Surface Area:
40.54HBA:
3HBD:
1#RO5 Violations:
1#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.37DETAILS - ALA207982
Name:
1-(4-ethylphenyl)-4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)butan-1-oneMol. Formula:
C30H35NO2M.W.:
441.62Type:
Small moleculeAlogP:
5.86Polar Surface Area:
40.54HBA:
3HBD:
1#RO5 Violations:
1#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.42DETAILS -
Type:
Small moleculeAlogP:
6.60Polar Surface Area:
40.54HBA:
3HBD:
1#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.38DETAILS - ALA207278
Name:
4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)-1-p-tolylbutan-1-oneMol. Formula:
C29H33NO2M.W.:
427.59Type:
Small moleculeAlogP:
5.61Polar Surface Area:
40.54HBA:
3HBD:
1#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.48DETAILS
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