ALA5195471Name:
N-(2-amino-4-fluoro-phenyl)-3-(1-cinnamylpyrazol-4-yl)prop-2-enamideMol. Formula:
C21H19FN4OM.W.:
362.41Type:
---AlogP:
3.97Polar Surface Area:
72.94HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.51DETAILS
Type:
UnknownAlogP:
2.62Polar Surface Area:
53.16HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.52DETAILS
Type:
UnknownAlogP:
5.50Polar Surface Area:
86.46HBA:
4HBD:
3#RO5 Violations:
1#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.20DETAILS
ALA4558922Name:
tert-Butyl Benzyl(4-(2-propylhydrazinecarbonyl)benzyl)carbamateMol. Formula:
C23H31N3O3M.W.:
397.52Type:
UnknownAlogP:
4.27Polar Surface Area:
70.67HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.52DETAILS
Type:
UnknownAlogP:
5.10Polar Surface Area:
86.46HBA:
4HBD:
3#RO5 Violations:
1#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.30DETAILS-
Type:
UnknownAlogP:
2.94Polar Surface Area:
53.16HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.54DETAILS -
Type:
UnknownAlogP:
3.45Polar Surface Area:
68.95HBA:
3HBD:
4#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.35DETAILS -
Type:
UnknownAlogP:
5.10Polar Surface Area:
86.46HBA:
4HBD:
3#RO5 Violations:
1#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.30DETAILS - ALA4465293
Name:
N-(4-(2-Propylhydrazinecarbonyl)phenyl)benzamideMol. Formula:
C17H19N3O2M.W.:
297.36Type:
UnknownAlogP:
2.58Polar Surface Area:
70.23HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.57DETAILS -
Type:
UnknownAlogP:
3.45Polar Surface Area:
68.95HBA:
3HBD:
4#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.35DETAILS -
Type:
UnknownAlogP:
2.91Polar Surface Area:
50.36HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.61DETAILS -
Type:
Small moleculeAlogP:
5.49Polar Surface Area:
114.93HBA:
6HBD:
3#RO5 Violations:
1#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.18DETAILS -
Type:
Small moleculeAlogP:
3.80Polar Surface Area:
93.45HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.32DETAILS - ALA4290246
Name:
N-(2-amino-4-fluorophenyl)-5-(1-phenylcyclopropanecarboxamido)picolinamideMol. Formula:
C22H19FN4O2M.W.:
390.42Type:
Small moleculeAlogP:
3.73Polar Surface Area:
97.11HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.58DETAILS -
Type:
Small moleculeAlogP:
5.88Polar Surface Area:
135.44HBA:
7HBD:
4#RO5 Violations:
2#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.18DETAILS - ALA4285537
Name:
N1-(4-(3-acetamidophenyl)thiazol-2-yl)-N8-(2-aminophenyl)octanediamideMol. Formula:
C25H29N5O3SM.W.:
479.61Type:
Small moleculeAlogP:
5.27Polar Surface Area:
126.21HBA:
6HBD:
4#RO5 Violations:
1#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.22DETAILS - ALA4282365
Name:
N-(2-amino-4-fluorophenyl)-4-(1-phenylcyclopropanecarboxamido)benzamideMol. Formula:
C23H20FN3O2M.W.:
389.43Type:
Small moleculeAlogP:
4.33Polar Surface Area:
84.22HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.57DETAILS -
Type:
Small moleculeAlogP:
2.05Polar Surface Area:
104.45HBA:
4HBD:
4#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.25DETAILS - ALA4281014
Name:
N1-(2-aminophenyl)-N8-(4-(3-aminophenyl)thiazol-2-yl)octanediamideMol. Formula:
C23H27N5O2SM.W.:
437.57Type:
Small moleculeAlogP:
4.89Polar Surface Area:
123.13HBA:
6HBD:
4#RO5 Violations:
---#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.27DETAILS -
Type:
Small moleculeAlogP:
6.66Polar Surface Area:
135.44HBA:
7HBD:
4#RO5 Violations:
2#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.16DETAILS
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