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ALA4445751 Name:
(4-(4-fluorophenyl)benzo[b]thiophen-2-yl)(morpholino)methanone
Mol. Formula:
C19H16FNO2S
M.W.:
341.41
Type:
Unknown
AlogP:
4.18
Polar Surface Area:
29.54
HBA:
3
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.70
DETAILS
CLOSE
ALA4105556 Name:
N-(4-((4-((5-Methyl-1H-pyrazol-3-yl)amino)-6-(4-methylpiperazin-1-yl)pyrimiShow More⌵
Mol. Formula:
C23H29N9O
M.W.:
447.55
Type:
Small molecule
AlogP:
3.10
Polar Surface Area:
114.10
HBA:
8
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA4102896 Name:
N-(4-((4-((5-Methyl-1H-pyrazol-3-yl)amino)-6-morpholino-1,3,5-triazin-2-yl)Show More⌵
Mol. Formula:
C24H31N9O2
M.W.:
477.57
Type:
Small molecule
AlogP:
3.75
Polar Surface Area:
132.98
HBA:
9
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA4102418 Name:
N-(4-((4-((5-Methyl-1H-pyrazol-3-yl)amino)-6-(piperidin-1-yl)-1,3,5-triazinShow More⌵
Mol. Formula:
C25H32N8OS
M.W.:
492.65
Type:
Small molecule
AlogP:
5.31
Polar Surface Area:
111.72
HBA:
8
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA4102307 Name:
N-(4-((4-((5-Methyl-1H-pyrazol-3-yl)amino)-6-(4-methylpiperazin-1-yl)pyrimiShow More⌵
Mol. Formula:
C26H35N9O
M.W.:
489.63
Type:
Small molecule
AlogP:
4.27
Polar Surface Area:
114.10
HBA:
8
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA4099814 Name:
N-(4-((4-((5-Methyl-1H-pyrazol-3-yl)amino)-6-morpholinopyrimidin-2-yl)aminoShow More⌵
Mol. Formula:
C25H32N8O2
M.W.:
476.59
Type:
Small molecule
AlogP:
4.35
Polar Surface Area:
120.09
HBA:
8
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA4098445 Name:
N-(4-((4-((5-Methyl-1H-pyrazol-3-yl)amino)-6-(4-methylpiperazin-1-yl)pyrimiShow More⌵
Mol. Formula:
C26H34N8OS
M.W.:
506.68
Type:
Small molecule
AlogP:
4.67
Polar Surface Area:
102.07
HBA:
8
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA4098058 Name:
N-(4-((4-((4,5-Dimethyl-1H-pyrazol-3-yl)amino)-6-morpholino-1,3,5-triazin-2Show More⌵
Mol. Formula:
C25H32N8O2S
M.W.:
508.65
Type:
Small molecule
AlogP:
4.46
Polar Surface Area:
120.95
HBA:
9
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA4097396 Name:
N-(4-((4-((4,5-Dimethyl-1H-pyrazol-3-yl)amino)-6-morpholinopyrimidin-2-yl)aShow More⌵
Mol. Formula:
C26H34N8O2
M.W.:
490.61
Type:
Small molecule
AlogP:
4.66
Polar Surface Area:
120.09
HBA:
8
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA4095144 Name:
N-(4-((4-((4,5-Dimethyl-1H-pyrazol-3-yl)amino)-6-(4-methylpiperazin-1-yl)-1Show More⌵
Mol. Formula:
C23H30N10O
M.W.:
462.56
Type:
Small molecule
AlogP:
2.80
Polar Surface Area:
126.99
HBA:
9
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA4094672 Name:
N-(4-((4-((4,5-Dimethyl-1H-pyrazol-3-yl)amino)-6-morpholino-1,3,5-triazin-2Show More⌵
Mol. Formula:
C22H26N8O2S
M.W.:
466.57
Type:
Small molecule
AlogP:
3.29
Polar Surface Area:
120.95
HBA:
9
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA4092699 Name:
N-(4-((4-((5-Methyl-1H-pyrazol-3-yl)amino)-6-(piperidin-1-yl)-1,3,5-triazinShow More⌵
Mol. Formula:
C22H27N9O
M.W.:
433.52
Type:
Small molecule
AlogP:
3.73
Polar Surface Area:
123.75
HBA:
8
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA4092326 Name:
N-(4-((4-((4,5-Dimethyl-1H-pyrazol-3-yl)amino)-6-morpholino-1,3,5-triazin-2Show More⌵
Mol. Formula:
C25H33N9O2
M.W.:
491.60
Type:
Small molecule
AlogP:
4.05
Polar Surface Area:
132.98
HBA:
9
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA4092214 Name:
N-(4-((4-((4,5-Dimethyl-1H-pyrazol-3-yl)amino)-6-(piperidin-1-yl)-1,3,5-triShow More⌵
Mol. Formula:
C26H34N8OS
M.W.:
506.68
Type:
Small molecule
AlogP:
5.62
Polar Surface Area:
111.72
HBA:
8
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA4090723 Name:
N-(4-((4-((5-Methyl-1H-pyrazol-3-yl)amino)-6-morpholinopyrimidin-2-yl)aminoShow More⌵
Mol. Formula:
C22H26N8O2
M.W.:
434.50
Type:
Small molecule
AlogP:
3.18
Polar Surface Area:
120.09
HBA:
8
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA4089676 Name:
N-(4-((4-((4,5-Dimethyl-1H-pyrazol-3-yl)amino)-6-morpholinopyrimidin-2-yl)aShow More⌵
Mol. Formula:
C23H28N8O2
M.W.:
448.53
Type:
Small molecule
AlogP:
3.49
Polar Surface Area:
120.09
HBA:
8
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA4089624 Name:
N-(4-((4-((5-Methyl-1H-pyrazol-3-yl)amino)-6-(piperidin-1-yl)pyrimidin-2-ylShow More⌵
Mol. Formula:
C23H27N7OS
M.W.:
449.58
Type:
Small molecule
AlogP:
4.74
Polar Surface Area:
98.83
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA4086975 Name:
N-(4-((4-((5-Methyl-1H-pyrazol-3-yl)amino)-6-(4-methylpiperazin-1-yl)-1,3,5Show More⌵
Mol. Formula:
C22H27N9OS
M.W.:
465.59
Type:
Small molecule
AlogP:
2.90
Polar Surface Area:
114.96
HBA:
9
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA4084466 Name:
N-(4-((4-((5-Methyl-1H-pyrazol-3-yl)amino)-6-morpholino-1,3,5-triazin-2-yl)Show More⌵
Mol. Formula:
C24H30N8O2S
M.W.:
494.63
Type:
Small molecule
AlogP:
4.15
Polar Surface Area:
120.95
HBA:
9
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA4083590 Name:
N-(4-((4-((4,5-Dimethyl-1H-pyrazol-3-yl)amino)-6-(piperidin-1-yl)pyrimidin-Show More⌵
Mol. Formula:
C27H36N8O
M.W.:
488.64
Type:
Small molecule
AlogP:
5.81
Polar Surface Area:
110.86
HBA:
7
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
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