Type:
---AlogP:
2.16Polar Surface Area:
71.04HBA:
8HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.52DETAILS
Type:
---AlogP:
2.42Polar Surface Area:
71.04HBA:
8HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.51DETAILS
Type:
---AlogP:
2.80Polar Surface Area:
104.32HBA:
8HBD:
1#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.37DETAILS
Type:
---AlogP:
3.79Polar Surface Area:
87.25HBA:
8HBD:
1#RO5 Violations:
1#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.35DETAILS
ALA4105600Name:
3-Chloro-4-fluorophenyl-5-isopropylisoxazole-3-carboxylateMol. Formula:
C13H11ClFNO3M.W.:
283.69Type:
Small moleculeAlogP:
3.81Polar Surface Area:
52.33HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.63DETAILS- ALA4103637
Name:
N-(3-Chloro-4-fluorophenyl)isoxazole-3-carboxamideMol. Formula:
C10H6ClFN2O2M.W.:
240.62Type:
Small moleculeAlogP:
2.72Polar Surface Area:
55.13HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.88DETAILS - ALA4102971
Name:
N-(3-Chloro-4-fluorophenyl)-5-phenylisoxazole-3-carboxamideMol. Formula:
C16H10ClFN2O2M.W.:
316.72Type:
Small moleculeAlogP:
4.39Polar Surface Area:
55.13HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.78DETAILS - ALA4100508
Name:
N-(3-Chloro-4-fluorophenyl)-5-ethylisoxazole-3-carboxamideMol. Formula:
C12H10ClFN2O2M.W.:
268.67Type:
Small moleculeAlogP:
3.28Polar Surface Area:
55.13HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.93DETAILS -
Type:
Small moleculeAlogP:
3.36Polar Surface Area:
55.13HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.90DETAILS - ALA4096798
Name:
5-Isopropyl-N-(pyridin-4-yl)isoxazole-3-carboxamideMol. Formula:
C12H13N3O2M.W.:
231.25Type:
Small moleculeAlogP:
2.45Polar Surface Area:
68.02HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.88DETAILS - ALA4092778
Name:
5-(tert-Butyl)-N-(3-chloro-4-fluorophenyl)isoxazole-3-carboxamideMol. Formula:
C14H14ClFN2O2M.W.:
296.73Type:
Small moleculeAlogP:
4.02Polar Surface Area:
55.13HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.91DETAILS - ALA4091509
Name:
N-(Benzo[d]thiazol-2-yl)-5-isopropylisoxazole-3-carboxamideMol. Formula:
C14H13N3O2SM.W.:
287.34Type:
Small moleculeAlogP:
3.66Polar Surface Area:
68.02HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.80DETAILS - ALA4090149
Name:
3-Chloro-4-fluoro-N-(2-isopropylthiazol-4-yl)benzamideMol. Formula:
C13H12ClFN2OSM.W.:
298.77Type:
Small moleculeAlogP:
4.31Polar Surface Area:
41.99HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.92DETAILS - ALA4089637
Name:
5-Isopropyl-N-(3-methoxyphenyl)isoxazole-3-carboxamideMol. Formula:
C14H16N2O3M.W.:
260.29Type:
Small moleculeAlogP:
3.06Polar Surface Area:
64.36HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.92DETAILS - ALA4089094
Name:
5-Isopropyl-N-(oxazol-2-yl)isoxazole-3-carboxamideMol. Formula:
C10H11N3O3M.W.:
221.22Type:
Small moleculeAlogP:
2.04Polar Surface Area:
81.16HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.86DETAILS - ALA4087521
Name:
3-Chloro-4-fluoro-N-((5-isopropylisoxazol-3-yl)methyl)anilineMol. Formula:
C13H14ClFN2OM.W.:
268.72Type:
Small moleculeAlogP:
4.20Polar Surface Area:
38.06HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.90DETAILS - ALA4085706
Name:
N-(3-Chloro-4-fluorophenyl)-5-methylisoxazole-3-carboxamideMol. Formula:
C11H8ClFN2O2M.W.:
254.65Type:
Small moleculeAlogP:
3.03Polar Surface Area:
55.13HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.90DETAILS - ALA4085268
Name:
5-Isopropyl-N-(pyridin-2-yl)isoxazole-3-carboxamideMol. Formula:
C12H13N3O2M.W.:
231.25Type:
Small moleculeAlogP:
2.45Polar Surface Area:
68.02HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.88DETAILS - ALA4085024
Name:
N-(3-Chloro-4-fluorophenyl)-5-cyclopentylisoxazole-3-carboxamideMol. Formula:
C15H14ClFN2O2M.W.:
308.74Type:
Small moleculeAlogP:
4.38Polar Surface Area:
55.13HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.92DETAILS - ALA4084011
Name:
N-(4-Fluorophenyl)-5-isopropylisoxazole-3-carboxamideMol. Formula:
C13H13FN2O2M.W.:
248.26Type:
Small moleculeAlogP:
3.19Polar Surface Area:
55.13HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.91DETAILS
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