ALA5269646Name:
[1,1'-Biphenyl]-4-yl methyl(3-(pyridin-4-yl)benzyl)carbamateMol. Formula:
C26H22N2O2M.W.:
394.47Type:
---AlogP:
6.05Polar Surface Area:
42.43HBA:
3HBD:
---#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.41DETAILS
Type:
---AlogP:
5.11Polar Surface Area:
89.79HBA:
7HBD:
---#RO5 Violations:
2#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.48DETAILS
ALA5284566Name:
4-Morpholino-1,2,5-thiadiazol-3-yl cycloheptyl(methyl)carbamateMol. Formula:
C15H24N4O3SM.W.:
340.45Type:
---AlogP:
2.53Polar Surface Area:
67.79HBA:
7HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.79DETAILS
ALA4575018Name:
(4-(4-Butylbenzoyl)piperidin-1-yl)(2-fluoro-5-hydroxyphenyl)-methanoneMol. Formula:
C23H26FNO3M.W.:
383.46Type:
UnknownAlogP:
4.61Polar Surface Area:
57.61HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.74DETAILS
Type:
UnknownAlogP:
5.44Polar Surface Area:
36.02HBA:
4HBD:
---#RO5 Violations:
2#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.49DETAILS- ALA4534867
Name:
(1-(4-Fluoro-3-hydroxybenzoyl)piperidin-4-yl)(4-isopropylphenyl)methanoneMol. Formula:
C22H24FNO3M.W.:
369.44Type:
UnknownAlogP:
4.39Polar Surface Area:
57.61HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.81DETAILS -
Type:
UnknownAlogP:
4.03Polar Surface Area:
36.02HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.66DETAILS -
Type:
UnknownAlogP:
4.02Polar Surface Area:
36.02HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.50DETAILS - ALA4466342
Name:
(4-(4-Butylbenzoyl)piperidin-1-yl)(4-fluoro-3-hydroxyphenyl)-methanoneMol. Formula:
C23H26FNO3M.W.:
383.46Type:
UnknownAlogP:
4.61Polar Surface Area:
57.61HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.74DETAILS -
Type:
UnknownAlogP:
3.44Polar Surface Area:
70.16HBA:
6HBD:
---#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.56DETAILS -
Type:
UnknownAlogP:
5.08Polar Surface Area:
36.02HBA:
4HBD:
---#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.56DETAILS -
Type:
Small moleculeAlogP:
4.60Polar Surface Area:
80.48HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.43DETAILS -
Type:
Small moleculeAlogP:
3.88Polar Surface Area:
91.48HBA:
6HBD:
2#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.43DETAILS -
Type:
Small moleculeAlogP:
2.57Polar Surface Area:
71.25HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.94DETAILS -
Type:
Small moleculeAlogP:
4.63Polar Surface Area:
71.25HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.48DETAILS -
Type:
Small moleculeAlogP:
4.91Polar Surface Area:
71.25HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.43DETAILS -
Type:
Small moleculeAlogP:
4.63Polar Surface Area:
71.25HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.48DETAILS -
Type:
Small moleculeAlogP:
3.50Polar Surface Area:
71.25HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.90DETAILS -
Type:
Small moleculeAlogP:
3.42Polar Surface Area:
97.03HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.50DETAILS -
Type:
Small moleculeAlogP:
4.91Polar Surface Area:
80.48HBA:
6HBD:
1#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.39DETAILS
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