Compounds

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ALA5200715
Name:
8-Methyl-6-(phenylethynyl)-2-((pyrimidin-2-ylthio)
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Mol. Formula:
C22H16N4OS
M.W.:
384.46

14 activity values

14 unique targets
Type:
---
AlogP:
3.71
Polar Surface Area:
71.53
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA5200299
Name:
4-(((6-Iodo-8-methyl-4-oxo-3,4-dihydroquinazolin-2
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Mol. Formula:
C17H13IN2O3S
M.W.:
452.27

14 activity values

14 unique targets
Type:
---
AlogP:
3.83
Polar Surface Area:
83.05
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA5198711
Name:
6,8-Dimethyl-2-((pyrimidin-2-ylthio)methyl)quinazo
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Mol. Formula:
C15H14N4OS
M.W.:
298.37

2 activity values

2 unique targets
Type:
---
AlogP:
2.62
Polar Surface Area:
71.53
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.59
DETAILS
CLOSE
ALA5184065
Name:
6-Iodo-8-methyl-2-((pyrimidin-2-ylthio)methyl)quin
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Mol. Formula:
C14H11IN4OS
M.W.:
410.24

14 activity values

14 unique targets
Type:
---
AlogP:
2.92
Polar Surface Area:
71.53
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA5176271
Name:
4-(((6-Bromo-8-methyl-4-oxo-3,4-dihydroquinazolin-
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Mol. Formula:
C17H13BrN2O3S
M.W.:
405.27

14 activity values

14 unique targets
Type:
---
AlogP:
3.98
Polar Surface Area:
83.05
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.64
DETAILS
CLOSE
ALA5173275
Name:
8-Methyl-6-(prop-1-yn-1-yl)-2-((pyrimidin-2-ylthio
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Mol. Formula:
C17H14N4OS
M.W.:
322.39

14 activity values

14 unique targets
Type:
---
AlogP:
2.69
Polar Surface Area:
71.53
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE