ALA5198792Name:
4-(4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl)butyl 4-carbamoylbenzoateMol. Formula:
C23H27ClN2O4M.W.:
430.93Type:
---AlogP:
3.36Polar Surface Area:
92.86HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.49DETAILS
ALA5205647Name:
N-(1-benzylpiperidin-4-yl)-4-carbamothioylbenzamideMol. Formula:
C20H23N3OSM.W.:
353.49Type:
---AlogP:
2.72Polar Surface Area:
58.36HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.81DETAILS
ALA5203238Name:
4-(4-benzylpiperazine-1-carbonyl)benzothioamideMol. Formula:
C19H21N3OSM.W.:
339.46Type:
---AlogP:
2.28Polar Surface Area:
49.57HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.87DETAILS
Type:
---AlogP:
1.74Polar Surface Area:
66.64HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.93DETAILS
Type:
---AlogP:
5.24Polar Surface Area:
92.86HBA:
5HBD:
2#RO5 Violations:
2#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.37DETAILS- ALA5192985
Name:
4-(4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl)butyl 4-carbamothioylbenzoateMol. Formula:
C23H27ClN2O3SM.W.:
447.00Type:
---AlogP:
3.89Polar Surface Area:
75.79HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.36DETAILS -
Type:
---AlogP:
2.18Polar Surface Area:
75.43HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.88DETAILS -
Type:
---AlogP:
5.21Polar Surface Area:
3.24HBA:
1HBD:
---#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.75DETAILS -
Type:
---AlogP:
5.38Polar Surface Area:
23.47HBA:
2HBD:
1#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.78DETAILS -
Type:
---AlogP:
5.78Polar Surface Area:
75.79HBA:
5HBD:
2#RO5 Violations:
2#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.26DETAILS -
Type:
---AlogP:
4.79Polar Surface Area:
36.02HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.70DETAILS -
Type:
UnknownAlogP:
4.53Polar Surface Area:
12.47HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.82DETAILS - ALA4763854
Name:
2-(3,4-dichlorophenoxy)-N-(2-morpholinoethyl)acetamideMol. Formula:
C14H18Cl2N2O3M.W.:
333.22Type:
UnknownAlogP:
1.82Polar Surface Area:
50.80HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.86DETAILS -
Type:
UnknownAlogP:
3.69Polar Surface Area:
84.92HBA:
9HBD:
---#RO5 Violations:
---#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.44DETAILS - ALA4758101
Name:
trans-2-(3,4-dimethoxyphenyl)-2-fluorocyclopropanamineMol. Formula:
C11H14FNO2M.W.:
211.24Type:
UnknownAlogP:
1.60Polar Surface Area:
44.48HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
YQED Weighted:
0.83DETAILS - ALA4741351
Name:
trans-2-Fluoro-2-(3-methoxyphenyl)cyclopropane-1-aminium chlorideMol. Formula:
C10H13ClFNOM.W.:
217.67Type:
UnknownAlogP:
1.59Polar Surface Area:
35.25HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.75DETAILS -
Type:
UnknownAlogP:
4.08Polar Surface Area:
84.92HBA:
9HBD:
---#RO5 Violations:
1#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.40DETAILS -
Type:
UnknownAlogP:
6.69Polar Surface Area:
33.41HBA:
5HBD:
---#RO5 Violations:
2#Rotatable Bonds:
15Passes Ro3:
NQED Weighted:
0.21DETAILS -
Type:
UnknownAlogP:
3.08Polar Surface Area:
33.41HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.61DETAILS -
Type:
UnknownAlogP:
3.28Polar Surface Area:
50.48HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.43DETAILS
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