Type:
UnknownAlogP:
4.53Polar Surface Area:
12.47HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.82DETAILS
Type:
---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:
3.36Polar Surface Area:
92.86HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.49DETAILS
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 -
Type:
---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:
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 -
Type:
UnknownAlogP:
1.60Polar Surface Area:
44.48HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
YQED Weighted:
0.83DETAILS -
Type:
UnknownAlogP:
4.94Polar Surface Area:
50.48HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.29DETAILS -
Type:
UnknownAlogP:
3.95Polar Surface Area:
33.41HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.53DETAILS -
Type:
UnknownAlogP:
6.89Polar Surface Area:
50.48HBA:
6HBD:
---#RO5 Violations:
2#Rotatable Bonds:
16Passes Ro3:
NQED Weighted:
0.14DETAILS -
Type:
UnknownAlogP:
4.16Polar Surface Area:
50.48HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.36DETAILS -
Type:
UnknownAlogP:
3.07Polar Surface Area:
44.27HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.68DETAILS
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