Compounds

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ALA2442277
Name:
(E)-5-((7-bromo-1H-indol-3-yl)methylene)-2-imino-3-methylimidazolidin-4-one
Mol. Formula:
C13H11BrN4O
M.W.:
319.16

Type:
Small molecule
AlogP:
2.27
Polar Surface Area:
71.98
HBA:
2
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.71
DETAILS
CLOSE
ALA2442274
Name:
(E)-5-((7-bromo-1H-indol-3-yl)methylene)-2-iminoimidazolidin-4-one
Mol. Formula:
C12H9BrN4O
M.W.:
305.13

Type:
Small molecule
AlogP:
1.93
Polar Surface Area:
80.77
HBA:
2
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.61
DETAILS
CLOSE
ALA2442273
Name:
(E)-5-((6-bromo-1H-indol-3-yl)methylene)-2-iminoimidazolidin-4-one
Mol. Formula:
C12H9BrN4O
M.W.:
305.13

Type:
Small molecule
AlogP:
1.93
Polar Surface Area:
80.77
HBA:
2
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.61
DETAILS
CLOSE
ALA2442269
Name:
(E)-4-((7-bromo-1H-indol-3-yl)methylene)-1-methyl-2-(methylamino)-1H-imidazShow More⌵
Mol. Formula:
C14H13BrN4O
M.W.:
333.19

Type:
Small molecule
AlogP:
2.32
Polar Surface Area:
60.49
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.79
DETAILS
CLOSE
ALA2442268
Name:
(E)-5-((6-bromo-1H-indol-3-yl)methylene)-3-methyl-2-(methylimino)imidazolidShow More⌵
Mol. Formula:
C14H13BrN4O
M.W.:
333.19

Type:
Small molecule
AlogP:
2.32
Polar Surface Area:
60.49
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.79
DETAILS
CLOSE
ALA2442265
Name:
(E)-5-((1H-indol-3-yl)methylene)-3-methyl-2-(methylimino)imidazolidin-4-one
Mol. Formula:
C14H14N4O
M.W.:
254.29

Type:
Small molecule
AlogP:
1.56
Polar Surface Area:
60.49
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.76
DETAILS
CLOSE
ALA595449
Name:
3-(5-(4-tert-butylphenyl)-3-((dimethylamino)methyl)-1H-1,2,4-triazol-1-yl)pShow More⌵
Mol. Formula:
C21H26N4O
M.W.:
350.47
43 activity values
38 unique targets
Type:
Small molecule
AlogP:
4.00
Polar Surface Area:
54.18
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.77
DETAILS
CLOSE
ALA238805
Name:
3-(4-(pentafluorosulfanyl)phenoxy)-N-methyl-3-phenylpropan-1-amine
Mol. Formula:
C16H18F5NOS
M.W.:
367.38
11 activity values
11 unique targets
Type:
Small molecule
AlogP:
6.07
Polar Surface Area:
21.26
HBA:
2
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.60
DETAILS
CLOSE