Type:
Small moleculeAlogP:
4.38Polar Surface Area:
72.24HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.46DETAILS
Type:
Small moleculeAlogP:
3.82Polar Surface Area:
54.88HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.89DETAILS
Type:
Small moleculeAlogP:
2.79Polar Surface Area:
98.02HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.59DETAILS
Type:
Small moleculeAlogP:
2.99Polar Surface Area:
68.02HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.79DETAILS
ALA4103670Name:
N-(5-phenylpyridin-2-yl)pyrimidine-5-carboxamideMol. Formula:
C16H12N4OM.W.:
276.30Type:
Small moleculeAlogP:
2.79Polar Surface Area:
67.77HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.80DETAILS-
Type:
Small moleculeAlogP:
3.76Polar Surface Area:
88.37HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.43DETAILS -
Type:
Small moleculeAlogP:
2.09Polar Surface Area:
67.77HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.88DETAILS - ALA4102440
Name:
N-(5-phenylpyridin-2-yl)thiazole-2-carboxamideMol. Formula:
C15H11N3OSM.W.:
281.34Type:
Small moleculeAlogP:
3.46Polar Surface Area:
54.88HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.80DETAILS -
Type:
Small moleculeAlogP:
2.28Polar Surface Area:
68.02HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.87DETAILS -
Type:
Small moleculeAlogP:
1.57Polar Surface Area:
100.92HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.62DETAILS -
Type:
Small moleculeAlogP:
1.12Polar Surface Area:
70.67HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.75DETAILS -
Type:
Small moleculeAlogP:
3.94Polar Surface Area:
67.77HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.62DETAILS -
Type:
Small moleculeAlogP:
2.86Polar Surface Area:
92.47HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.51DETAILS -
Type:
Small moleculeAlogP:
2.99Polar Surface Area:
97.60HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.42DETAILS -
Type:
Small moleculeAlogP:
3.19Polar Surface Area:
67.77HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.68DETAILS -
Type:
Small moleculeAlogP:
1.19Polar Surface Area:
67.77HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.80DETAILS -
Type:
Small moleculeAlogP:
2.23Polar Surface Area:
68.02HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.86DETAILS - ALA4085617
Name:
N-(thiazol-4-yl)-3-(trifluoromethyl)benzamideMol. Formula:
C11H7F3N2OSM.W.:
272.25Type:
Small moleculeAlogP:
3.41Polar Surface Area:
41.99HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.91DETAILS - ALA4085230
Name:
4-ethoxy-N-(5-iodopyridin-2-yl)-3-nitrobenzamideMol. Formula:
C14H12IN3O4M.W.:
413.17Type:
Small moleculeAlogP:
3.25Polar Surface Area:
94.36HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.46DETAILS - ALA4090248
Name:
N-(5-bromo-6-methylpyrazin-2-yl)-3-nitrobenzamideMol. Formula:
C12H9BrN4O3M.W.:
337.13Type:
Small moleculeAlogP:
2.71Polar Surface Area:
98.02HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.69DETAILS
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