Type:
Small moleculeAlogP:
4.26Polar Surface Area:
56.13HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.85DETAILS
Type:
Small moleculeAlogP:
4.94Polar Surface Area:
45.23HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.66DETAILS
Type:
Small moleculeAlogP:
4.30Polar Surface Area:
75.48HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.59DETAILS
ALA4101561Name:
2,4-dichloro-N-(1-ethylpiperidin-4-yl)benzamideMol. Formula:
C14H18Cl2N2OM.W.:
301.22Type:
Small moleculeAlogP:
3.21Polar Surface Area:
32.34HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.93DETAILS
Type:
Small moleculeAlogP:
4.26Polar Surface Area:
56.13HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.85DETAILS- ALA4091169
Name:
1-Benzyl-N-(2,4-dichlorobenzyl)piperidin-4-amineMol. Formula:
C19H22Cl2N2M.W.:
349.30Type:
Small moleculeAlogP:
4.75Polar Surface Area:
15.27HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.84DETAILS -
Type:
Small moleculeAlogP:
4.17Polar Surface Area:
58.64HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.74DETAILS - ALA4089518
Name:
N-(1-benzylpiperidin-4-yl)isobutyramideCas Number:
312924-69-9Mol. Formula:
C16H24N2OM.W.:
260.38Type:
Small moleculeAlogP:
2.42Polar Surface Area:
32.34HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.90DETAILS - ALA4072452
Name:
2,4-dichloro-N-(1-methylpiperidin-4-yl)benzamideMol. Formula:
C13H16Cl2N2OM.W.:
287.19Type:
Small moleculeAlogP:
2.82Polar Surface Area:
32.34HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.91DETAILS -
Type:
Small moleculeAlogP:
5.54Polar Surface Area:
32.34HBA:
2HBD:
1#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.61DETAILS -
Type:
Small moleculeAlogP:
4.84Polar Surface Area:
67.87HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.52DETAILS -
Type:
Small moleculeAlogP:
4.90Polar Surface Area:
32.34HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.79DETAILS -
Type:
Small moleculeAlogP:
4.99Polar Surface Area:
32.34HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.61DETAILS -
Type:
Small moleculeAlogP:
4.07Polar Surface Area:
49.41HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.78DETAILS -
Type:
Small moleculeAlogP:
3.78Polar Surface Area:
45.23HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.90DETAILS -
Type:
Small moleculeAlogP:
4.30Polar Surface Area:
75.48HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.59DETAILS -
Type:
Small moleculeAlogP:
3.78Polar Surface Area:
45.23HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.90DETAILS -
Type:
Small moleculeAlogP:
3.51Polar Surface Area:
29.54HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.81DETAILS - ALA4080696
Name:
N-(1-benzylpiperidin-4-yl)-4-fluorobenzamideCas Number:
132442-35-4Mol. Formula:
C19H21FN2OM.W.:
312.39Type:
Small moleculeAlogP:
3.22Polar Surface Area:
32.34HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.94DETAILS -
Type:
Small moleculeAlogP:
3.78Polar Surface Area:
45.23HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.90DETAILS
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