Type:
---AlogP:
4.04Polar Surface Area:
81.06HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.51DETAILS
Type:
---AlogP:
4.67Polar Surface Area:
61.19HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.41DETAILS
Type:
---AlogP:
5.08Polar Surface Area:
73.22HBA:
5HBD:
1#RO5 Violations:
2#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.35DETAILS
Type:
---AlogP:
4.94Polar Surface Area:
74.33HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.29DETAILS
ALA2287175Name:
N-((4-chlorophenyl)(methoxy)methyl)-2-cyano-3,3-dimethylbutanamideMol. Formula:
C15H19ClN2O2M.W.:
294.78Type:
Small moleculeAlogP:
3.29Polar Surface Area:
62.12HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.87DETAILS- ALA2287174
Name:
N-(1-(4-chlorophenyl)propan-2-yl)-2-cyano-3,3-dimethylbutanamideMol. Formula:
C16H21ClN2OM.W.:
292.81Type:
Small moleculeAlogP:
3.57Polar Surface Area:
52.89HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.92DETAILS - ALA2287173
Name:
N-(4-chlorophenethyl)-2-cyano-3,3-dimethylbutanamideMol. Formula:
C15H19ClN2OM.W.:
278.78Type:
Small moleculeAlogP:
3.18Polar Surface Area:
52.89HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.92DETAILS - ALA2287172
Name:
2-bromo-N-(1-(4-chlorophenyl)ethyl)-3,3-dimethylbutanamideMol. Formula:
C14H19BrClNOM.W.:
332.67Type:
Small moleculeAlogP:
4.33Polar Surface Area:
29.10HBA:
1HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.82DETAILS - ALA2287171
Name:
N-(1-(4-chlorophenyl)ethyl)-3,3-dimethyl-2-(methylthio)butanamideMol. Formula:
C15H22ClNOSM.W.:
299.87Type:
Small moleculeAlogP:
4.29Polar Surface Area:
29.10HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.90DETAILS - ALA2286945
Name:
N-(1-(4-chlorophenyl)ethyl)-2-fluoro-3,3-dimethylbutanamideMol. Formula:
C14H19ClFNOM.W.:
271.76Type:
Small moleculeAlogP:
3.90Polar Surface Area:
29.10HBA:
1HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.89DETAILS - ALA2286944
Name:
N-(1-(4-chlorophenyl)ethyl)-2-cyano-3,3-dimethylbutanamideMol. Formula:
C15H19ClN2OM.W.:
278.78Type:
Small moleculeAlogP:
3.70Polar Surface Area:
52.89HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.92DETAILS - ALA2286943
Name:
2-tert-butyl-N-(1-(4-chlorophenyl)ethyl)but-3-ynamideMol. Formula:
C16H20ClNOM.W.:
277.80Type:
Small moleculeAlogP:
3.81Polar Surface Area:
29.10HBA:
1HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.84DETAILS - ALA2286942
Name:
N-(1-(4-chlorophenyl)ethyl)-2-methoxy-3,3-dimethylbutanamideMol. Formula:
C15H22ClNO2M.W.:
283.80Type:
Small moleculeAlogP:
3.58Polar Surface Area:
38.33HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.92DETAILS - ALA2286941
Name:
N-(1-(4-chlorophenyl)ethyl)-3,3-dimethyl-2-(methylsulfinyl)butanamideMol. Formula:
C15H22ClNO2SM.W.:
315.87Type:
Small moleculeAlogP:
3.31Polar Surface Area:
52.16HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.87DETAILS - ALA2286940
Name:
N-(1-(4-chlorophenyl)ethyl)-2-hydroxy-3,3-dimethylbutanamideMol. Formula:
C14H20ClNO2M.W.:
269.77Type:
Small moleculeAlogP:
2.92Polar Surface Area:
49.33HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
YQED Weighted:
0.89DETAILS - ALA2286939
Name:
N-(1-(4-chlorophenyl)ethyl)-3,3-dimethyl-2-(methylsulfonyl)butanamideMol. Formula:
C15H22ClNO3SM.W.:
331.87Type:
Small moleculeAlogP:
2.98Polar Surface Area:
63.24HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.92DETAILS - ALA2286938
Name:
N-(1-(4-chlorophenyl)ethyl)-2-cyanopropanamideMol. Formula:
C12H13ClN2OM.W.:
236.70Type:
Small moleculeAlogP:
2.68Polar Surface Area:
52.89HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
YQED Weighted:
0.88DETAILS - ALA2286937
Name:
N-(1-(4-chlorophenyl)ethyl)-2-cyano-3-methylbutanamideMol. Formula:
C14H17ClN2OM.W.:
264.76Type:
Small moleculeAlogP:
3.31Polar Surface Area:
52.89HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.91DETAILS -
Type:
Small moleculeAlogP:
3.85Polar Surface Area:
52.89HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.86DETAILS - ALA2286935
Name:
N-(1-(4-chlorophenyl)ethyl)-2-cyano-4-methylpentanamideMol. Formula:
C15H19ClN2OM.W.:
278.78Type:
Small moleculeAlogP:
3.70Polar Surface Area:
52.89HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.89DETAILS
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