Compounds

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ALA2289499
Name:
ketoclomazone
Mol. Formula:
C12H12ClNO3
M.W.:
253.69
5 activity values
4 unique targets
Type:
Small molecule
AlogP:
2.17
Polar Surface Area:
46.61
HBA:
3
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
Y
QED Weighted:
0.76
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ALA2289498
Name:
4-(5-((2-(benzo[d]thiazol-2-yl)hydrazono)methyl)furan-2-yl)benzoic acid
Mol. Formula:
C19H13N3O3S
M.W.:
363.40
3 activity values
2 unique targets
Type:
Small molecule
AlogP:
4.70
Polar Surface Area:
87.72
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.40
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ALA2289497
Name:
5-ethoxy-2-(4-(4-methoxyphenyl)-3-(trifluoromethyl)isoxazol-5-yl)phenol
Mol. Formula:
C19H16F3NO4
M.W.:
379.33
3 activity values
2 unique targets
Type:
Small molecule
AlogP:
5.14
Polar Surface Area:
64.72
HBA:
5
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.66
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ALA2289496
Name:
2-(2-(3-(benzyloxy)-4-methoxybenzylidene)hydrazinyl)-1H-benzo[d]imidazole
Mol. Formula:
C22H20N4O2
M.W.:
372.43
3 activity values
2 unique targets
Type:
Small molecule
AlogP:
4.60
Polar Surface Area:
71.53
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
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