Compounds

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ALA5191676
Name:
8-methyl-7-(prop-1-yn-1-yl)-2-((pyrimidin-2-ylthio)methyl)quinazolin-4(3H)-Show More⌵
Mol. Formula:
C17H14N4OS
M.W.:
322.39
9 activity values
8 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
ALA4580007
Name:
5-phenyl-3,4-dihydroisoquinolin-1(2H)-one
Mol. Formula:
C15H13NO
M.W.:
223.28
5 activity values
3 unique targets
Type:
Unknown
AlogP:
2.64
Polar Surface Area:
29.10
HBA:
1
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
Y
QED Weighted:
0.79
DETAILS
CLOSE
6-Bromo-3,4-dihydro-2h-isoquinolin-1-one
Name:
6-bromo-3,4-dihydroisoquinolin-1(2H)-one
Mol. Formula:
C9H8BrNO
M.W.:
226.07
5 activity values
3 unique targets
Type:
Unknown
AlogP:
1.74
Polar Surface Area:
29.10
HBA:
1
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
Y
QED Weighted:
0.72
DETAILS
CLOSE
ALA4515501
Name:
6-benzyl-3,4-dihydroisoquinolin-1(2H)-one
Mol. Formula:
C16H15NO
M.W.:
237.30
4 activity values
3 unique targets
Type:
Unknown
AlogP:
2.56
Polar Surface Area:
29.10
HBA:
1
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
Y
QED Weighted:
0.85
DETAILS
CLOSE
6-Methyl-3，4-dihydroisoquinolin-1(2H)-one
Name:
6-methyl-3,4-dihydroisoquinolin-1(2H)-one
Mol. Formula:
C10H11NO
M.W.:
161.20
5 activity values
3 unique targets
Type:
Unknown
AlogP:
1.28
Polar Surface Area:
29.10
HBA:
1
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
Y
QED Weighted:
0.61
DETAILS
CLOSE
5-Bromo-3,4-dihydroisoquinolin-1(2H)-one
Name:
5-bromo-3,4-dihydroisoquinolin-1(2H)-one
Mol. Formula:
C9H8BrNO
M.W.:
226.07
5 activity values
3 unique targets
Type:
Unknown
AlogP:
1.74
Polar Surface Area:
29.10
HBA:
1
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
Y
QED Weighted:
0.72
DETAILS
CLOSE