Compounds

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ALA3734984
Name:
Ethyl 2-(5-methyl-3-oxo-2,3-dihydro-1H-pyrazol-4-yl)-2-(2,4,6-trioxohexahydShow More⌵
Mol. Formula:
C12H14N4O6
M.W.:
310.27
13 activity values
6 unique targets
Type:
Small molecule
AlogP:
-1.21
Polar Surface Area:
160.90
HBA:
6
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA3735830
Name:
5-((2-Methoxyphenyl)(5-methyl-3-oxo-2,3-dihydro-1H-pyrazol-4-yl)methyl)pyriShow More⌵
Mol. Formula:
C16H16N4O5
M.W.:
344.33
9 activity values
6 unique targets
Type:
Small molecule
AlogP:
0.28
Polar Surface Area:
143.83
HBA:
5
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA3735501
Name:
5-((5-Methyl-3-oxo-2,3-dihydro-1H-pyrazol-4-yl)(2-nitrophenyl)methyl)pyrimiShow More⌵
Mol. Formula:
C15H13N5O6
M.W.:
359.30
8 activity values
5 unique targets
Type:
Small molecule
AlogP:
0.18
Polar Surface Area:
177.74
HBA:
6
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA3734780
Name:
5-((2-Chlorophenyl)(5-methyl-3-oxo-2,3-dihydro-1H-pyrazol-4-yl)methyl)pyrimShow More⌵
Mol. Formula:
C15H13ClN4O4
M.W.:
348.75
9 activity values
6 unique targets
Type:
Small molecule
AlogP:
0.93
Polar Surface Area:
134.60
HBA:
4
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA3736133
Name:
5-((3-Bromophenyl)(5-methyl-3-oxo-2,3-dihydro-1H-pyrazol-4-yl)methyl)pyrimiShow More⌵
Mol. Formula:
C15H13BrN4O4
M.W.:
393.20
11 activity values
4 unique targets
Type:
Small molecule
AlogP:
1.04
Polar Surface Area:
134.60
HBA:
4
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA3735163
Name:
5-((4-Fluorophenyl)(5-methyl-3-oxo-2,3-dihydro-1H-pyrazol-4-yl)methyl)pyrimShow More⌵
Mol. Formula:
C15H13FN4O4
M.W.:
332.29
7 activity values
4 unique targets
Type:
Small molecule
AlogP:
0.41
Polar Surface Area:
134.60
HBA:
4
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA464542
Name:
(2E,4E,6E)-9-[((2S,3R)-3-hydroxy-4-{[(3E,5E,7RS)-7-hydroxy-4-methyltetraadeShow More⌵
Mol. Formula:
C29H46N2O6
M.W.:
518.70
10 activity values
10 unique targets
Type:
Small molecule
AlogP:
3.97
Polar Surface Area:
135.96
HBA:
5
HBD:
5
#RO5 Violations:
1
#Rotatable Bonds:
20
Passes Ro3:
N
QED Weighted:
0.09
DETAILS
CLOSE
ALA464336
Name:
(2E,4E,6E)-9-[((2S,3R)-3-hydroxy-4-{[(3E,5E,7RS)-7-hydroxy-4-methylhexadecaShow More⌵
Mol. Formula:
C31H50N2O6
M.W.:
546.75
10 activity values
10 unique targets
Type:
Small molecule
AlogP:
4.75
Polar Surface Area:
135.96
HBA:
5
HBD:
5
#RO5 Violations:
1
#Rotatable Bonds:
22
Passes Ro3:
N
QED Weighted:
0.08
DETAILS
CLOSE