Compounds

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ALA4100136
Name:
5-methyl-3-phenyl-N-(4-(trifluoromethoxy)phenyl)is
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Mol. Formula:
C18H13F3N2O3
M.W.:
362.31

3 activity values

2 unique targets
Type:
Small molecule
AlogP:
4.80
Polar Surface Area:
64.36
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.72
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ALA4095473
Name:
isobutyl 4-(thiophene-2-carboxamido)benzoate

Cas Number:
301307-34-6

Mol. Formula:
C16H17NO3S
M.W.:
303.38

2 activity values

2 unique targets
Type:
Small molecule
AlogP:
3.81
Polar Surface Area:
55.40
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.85
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ALA4061938
Name:
N-(3-chloro-4-cyanophenyl)-5-methyl-3-phenylisoxaz
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Cas Number:
871088-44-7

Mol. Formula:
C18H12ClN3O2
M.W.:
337.77

2 activity values

2 unique targets
Type:
Small molecule
AlogP:
4.43
Polar Surface Area:
78.92
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.77
DETAILS
CLOSE