Compounds

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MK-591 sodium
Name:
Sodium salt 3-[3-tert-butylsulfanyl-1-(4-chloro-benzyl)-5-(quinolin-2-ylmetShow More⌵
Mol. Formula:
C34H34ClN2NaO3S
M.W.:
609.17
20 activity values
8 unique targets
Type:
Small molecule
AlogP:
9.01
Polar Surface Area:
64.35
HBA:
5
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.17
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ALA90552
Name:
{3-[5-(4-Fluoro-phenoxy)-furan-2-yl]-1-methyl-prop-2-ynyl}-hydroxy urea
Mol. Formula:
C15H13FN2O4
M.W.:
304.28
12 activity values
10 unique targets
Type:
Small molecule
AlogP:
2.72
Polar Surface Area:
88.93
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
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ALA84566
Name:
[2-(3,5-Di-tert-butyl-4-hydroxy-phenylsulfanyl)-1-methyl-propoxy]-acetic acShow More⌵
Mol. Formula:
C20H32O4S
M.W.:
368.54
1 activity values
1 unique targets
Type:
Small molecule
AlogP:
4.96
Polar Surface Area:
66.76
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.69
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BW A4C
Name:
N-Hydroxy-N-[3-(3-phenoxy-phenyl)-allyl]-acetamide
Mol. Formula:
C17H17NO3
M.W.:
283.33
82 activity values
20 unique targets
Type:
Small molecule
AlogP:
3.73
Polar Surface Area:
49.77
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.67
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Atreleuton
Name:
N-{(1R)-3-[5-(4-fluorobenzyl)thien-2-yl]-1-methylprop-2-ynyl}-N-hydroxyurea
Mol. Formula:
C16H15FN2O2S
M.W.:
318.37
29 activity values
11 unique targets
Type:
Small molecule
AlogP:
2.99
Polar Surface Area:
66.56
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.52
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Zileuton
Name:
N-[1-(1-benzothien-2-yl)ethyl]-N-hydroxyurea
Mol. Formula:
C11H12N2O2S
M.W.:
236.30
1,183 activity values
198 unique targets
Type:
Small molecule
AlogP:
2.73
Polar Surface Area:
66.56
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.62
DETAILS
CLOSE