Type:
---AlogP:
3.29Polar Surface Area:
91.32HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.68DETAILS
Type:
---AlogP:
4.75Polar Surface Area:
58.20HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.70DETAILS
ALA5195455Name:
N-[(1R)-1-(6-methoxy-3-pyridyl)propyl]-2-(propylsulfonylamino)benzamideMol. Formula:
C19H25N3O4SM.W.:
391.49Type:
---AlogP:
3.12Polar Surface Area:
97.39HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.68DETAILS
Type:
---AlogP:
4.86Polar Surface Area:
40.85HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.41DETAILS
Type:
---AlogP:
3.65Polar Surface Area:
71.09HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.77DETAILS-
Type:
---AlogP:
4.33Polar Surface Area:
58.20HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.75DETAILS -
Type:
---AlogP:
4.91Polar Surface Area:
62.97HBA:
6HBD:
---#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.38DETAILS - ALA4592278
Name:
2-(butylsulfonamido)-N-(1-(6-methoxypyridin-3-yl)propyl)benzamideMol. Formula:
C20H27N3O4SM.W.:
405.52Type:
UnknownAlogP:
3.51Polar Surface Area:
97.39HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.63DETAILS - (R)-N-(2，6-Dimethylphenyl)-1-propylpiperidine-2-carboxamide
Name:
(R)-RopivacaineMol. Formula:
C17H26N2OM.W.:
274.41Type:
UnknownAlogP:
3.51Polar Surface Area:
32.34HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.91DETAILS -
Type:
UnknownAlogP:
3.88Polar Surface Area:
67.91HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.70DETAILS -
Type:
UnknownAlogP:
3.21Polar Surface Area:
49.69HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.81DETAILS -
Type:
UnknownAlogP:
3.45Polar Surface Area:
104.73HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.49DETAILS -
Type:
UnknownAlogP:
4.94Polar Surface Area:
49.69HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.57DETAILS -
Type:
UnknownAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
Small moleculeAlogP:
4.40Polar Surface Area:
96.15HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.53DETAILS -
Type:
Small moleculeAlogP:
4.06Polar Surface Area:
63.57HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.67DETAILS -
Type:
Small moleculeAlogP:
4.28Polar Surface Area:
85.69HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.54DETAILS -
Type:
Small moleculeAlogP:
3.38Polar Surface Area:
98.39HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.61DETAILS -
Type:
Small moleculeAlogP:
3.38Polar Surface Area:
63.57HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.80DETAILS -
Type:
Small moleculeAlogP:
3.04Polar Surface Area:
132.52HBA:
6HBD:
3#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.43DETAILS
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