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ALA3818540 Name:
2-((2-butyl-4-chloro-1-(4-methylbenzyl)-1H-imidazo
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Mol. Formula:
C32H32ClN5O3
M.W.:
570.09
Type:
Small molecule
AlogP:
5.86
Polar Surface Area:
80.03
HBA:
7
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.20
DETAILS
CLOSE
ALA3818100 Name:
2-((2-butyl-4-chloro-1-(4-methoxybenzyl)-1H-imidaz
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Mol. Formula:
C32H32ClN5O4
M.W.:
586.09
Type:
Small molecule
AlogP:
5.56
Polar Surface Area:
89.26
HBA:
8
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA3819471 Name:
2-((2-Butyl-4-chloro-1-(4-nitrobenzyl)-1H-imidazol
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Mol. Formula:
C31H29ClN6O5
M.W.:
601.06
Type:
Small molecule
AlogP:
5.46
Polar Surface Area:
123.17
HBA:
9
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.11
DETAILS
CLOSE
ALA3818333 Name:
2-((2-butyl-4-chloro-1-(4-fluorobenzyl)-1H-imidazo
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Mol. Formula:
C31H29ClFN5O3
M.W.:
574.06
Type:
Small molecule
AlogP:
5.69
Polar Surface Area:
80.03
HBA:
7
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.20
DETAILS
CLOSE
ALA2382006 Name:
rac-ethyl 6,8-dichloro-1-(oxiran-2-ylmethyl)-4-oxo
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Mol. Formula:
C15H13Cl2NO4
M.W.:
342.18
Type:
Small molecule
AlogP:
2.88
Polar Surface Area:
60.83
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA2381920 Name:
rac-ethyl 6,8-difluoro-1-(oxiran-2-ylmethyl)-4-oxo
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Mol. Formula:
C15H13F2NO4
M.W.:
309.27
Type:
Small molecule
AlogP:
1.86
Polar Surface Area:
60.83
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.64
DETAILS
CLOSE
ALA1922166 Name:
2-(2-Ethylphenyl)benzothiazole
Mol. Formula:
C15H13NS
M.W.:
239.34
Type:
Small molecule
AlogP:
4.53
Polar Surface Area:
12.89
HBA:
2
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.64
DETAILS
CLOSE
ALA1922089 Name:
1-(3,4-Dichlorobenzyl)-2-(3,4-dichlorophenyl)benzi
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Mol. Formula:
C20H12Cl4N2
M.W.:
422.14
Type:
Small molecule
AlogP:
7.37
Polar Surface Area:
17.82
HBA:
2
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.34
DETAILS
CLOSE
ALA601835 Name:
3-[2-(2-Methylcyclohexylidene)hydrazinyl]quinoxali
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Mol. Formula:
C15H18N4O
M.W.:
270.34
Type:
Small molecule
AlogP:
2.90
Polar Surface Area:
70.14
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.82
DETAILS
CLOSE
ALA601513 Name:
3-[2-(2-Chlorocyclohexylidene)hydrazinyl]quinoxali
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Mol. Formula:
C14H15ClN4O
M.W.:
290.75
Type:
Small molecule
AlogP:
2.87
Polar Surface Area:
70.14
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.66
DETAILS
CLOSE
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