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ALA3695593 Name:
US8933228, 21
Mol. Formula:
C30H27N7O3S
M.W.:
565.66
Type:
Small molecule
AlogP:
6.76
Polar Surface Area:
126.82
HBA:
8
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.21
DETAILS
CLOSE
ALA3695591 Name:
US8933228, 19
Mol. Formula:
C28H25Cl2N7O4
M.W.:
594.46
Type:
Small molecule
AlogP:
6.04
Polar Surface Area:
147.05
HBA:
8
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA3695589 Name:
US8933228, 17
Mol. Formula:
C32H29N7O4
M.W.:
575.63
Type:
Small molecule
AlogP:
5.88
Polar Surface Area:
147.05
HBA:
8
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA3695586 Name:
US8933228, 13
Mol. Formula:
C28H27Cl2N7O4
M.W.:
596.48
Type:
Small molecule
AlogP:
6.50
Polar Surface Area:
128.09
HBA:
8
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.21
DETAILS
CLOSE
ALA3695580 Name:
US8933228, 32
Mol. Formula:
C31H25Cl2N7O3
M.W.:
614.49
Type:
Small molecule
AlogP:
7.70
Polar Surface Area:
126.82
HBA:
7
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.18
DETAILS
CLOSE
ALA3695570 Name:
US8933228, 4
Mol. Formula:
C29H26N8O3
M.W.:
534.58
Type:
Small molecule
AlogP:
5.72
Polar Surface Area:
142.61
HBA:
7
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.22
DETAILS
CLOSE
ALA3780667 Name:
N-(4-((4-(3-(3-tert-Butyl-1-p-tolyl-1H-pyrazol-5-y
Show More⌵
Mol. Formula:
C37H41N7O4
M.W.:
647.78
Type:
Small molecule
AlogP:
6.52
Polar Surface Area:
122.64
HBA:
8
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.17
DETAILS
CLOSE
ALA3781244 Name:
N-(4-((4-(3-(3-tert-Butyl-1-p-tolyl-1H-pyrazol-5-y
Show More⌵
Mol. Formula:
C35H39N7O3
M.W.:
605.74
Type:
Small molecule
AlogP:
6.75
Polar Surface Area:
113.41
HBA:
7
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.17
DETAILS
CLOSE
ALA3781473 Name:
N-(4-(((4-(3-(3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazo
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Mol. Formula:
C39H38N6O3
M.W.:
638.77
Type:
Small molecule
AlogP:
8.43
Polar Surface Area:
110.17
HBA:
6
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.15
DETAILS
CLOSE
ALA3780519 Name:
N-(4-(((4-(3-(3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazo
Show More⌵
Mol. Formula:
C38H36N6O3
M.W.:
624.75
Type:
Small molecule
AlogP:
8.50
Polar Surface Area:
110.17
HBA:
6
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.16
DETAILS
CLOSE
ALA3781687 Name:
1-(3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)-3-(
Show More⌵
Mol. Formula:
C34H37N7O3
M.W.:
591.72
Type:
Small molecule
AlogP:
7.04
Polar Surface Area:
122.20
HBA:
6
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.15
DETAILS
CLOSE
ALA3781102 Name:
N-(4-(((4-(3-(3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazo
Show More⌵
Mol. Formula:
C33H34N6O3
M.W.:
562.67
Type:
Small molecule
AlogP:
7.21
Polar Surface Area:
110.17
HBA:
6
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA3780714 Name:
N-(4-(((4-(3-(3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazo
Show More⌵
Mol. Formula:
C32H34N6O4S
M.W.:
598.73
Type:
Small molecule
AlogP:
6.62
Polar Surface Area:
127.24
HBA:
7
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.18
DETAILS
CLOSE
ALA3781532 Name:
Methyl (4-(((4-(3-(3-(tert-Butyl)-1-(p-tolyl)-1H-p
Show More⌵
Mol. Formula:
C34H36N6O4
M.W.:
592.70
Type:
Small molecule
AlogP:
7.47
Polar Surface Area:
119.40
HBA:
7
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.17
DETAILS
CLOSE
ALA3781413 Name:
4-(((4-(3-(3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5
Show More⌵
Mol. Formula:
C38H43N7O4
M.W.:
661.81
Type:
Small molecule
AlogP:
6.31
Polar Surface Area:
122.64
HBA:
8
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.16
DETAILS
CLOSE
ALA3780410 Name:
4-(((4-(3-(3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5
Show More⌵
Mol. Formula:
C35H38N6O4
M.W.:
606.73
Type:
Small molecule
AlogP:
6.63
Polar Surface Area:
119.40
HBA:
7
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.15
DETAILS
CLOSE
ALA3782009 Name:
N-(1-(2-((4-(3-(3-(tert-Butyl)-1-(p-tolyl)-1H-pyra
Show More⌵
Mol. Formula:
C32H35N7O3
M.W.:
565.68
Type:
Small molecule
AlogP:
6.51
Polar Surface Area:
115.10
HBA:
7
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.20
DETAILS
CLOSE
ALA3780629 Name:
4-(2-((4-(3-(3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol
Show More⌵
Mol. Formula:
C36H40N6O4
M.W.:
620.75
Type:
Small molecule
AlogP:
6.67
Polar Surface Area:
119.40
HBA:
7
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.14
DETAILS
CLOSE
ALA3780089 Name:
4-(2-((4-(3-(3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol
Show More⌵
Mol. Formula:
C34H36N6O3
M.W.:
576.70
Type:
Small molecule
AlogP:
6.65
Polar Surface Area:
110.17
HBA:
6
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA3780154 Name:
N-(4-(2-(4-(3-(3-tert-Butyl-1-p-tolyl-1H-pyrazol-5
Show More⌵
Mol. Formula:
C35H38N6O4
M.W.:
606.73
Type:
Small molecule
AlogP:
6.88
Polar Surface Area:
119.40
HBA:
7
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.16
DETAILS
CLOSE
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