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ALA5206705 Name:
5-amino-1-(2,4-difluorophenyl)-6-phenyl-3-(pyridin-2-yl)-1H-pyrazolo[4,3-g]Show More⌵
Mol. Formula:
C27H15F2N5O2
M.W.:
479.45
Type:
---
AlogP:
4.63
Polar Surface Area:
103.76
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA4450495 Name:
2-((E)-2-((E)-2-(4-(4-(6-amino-5-((R)-1-(2,6-dichloro-3-fluorophenyl)ethoxyShow More⌵
Mol. Formula:
C53H57Cl2FIN7O
M.W.:
1024.89
Type:
Unknown
AlogP:
12.69
Polar Surface Area:
75.45
HBA:
7
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.12
DETAILS
CLOSE
Type:
Small molecule
AlogP:
1.60
Polar Surface Area:
15.27
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
Y
QED Weighted:
0.80
DETAILS
CLOSE
ALA500865 Name:
17beta-[1-Methyl-3-(1N-(4N-cinnamyl)piperazin-1-yl)carboxypropyl]etiocholanShow More⌵
Mol. Formula:
C37H56N2O3
M.W.:
576.87
Type:
Small molecule
AlogP:
6.25
Polar Surface Area:
64.01
HBA:
4
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA117275 Name:
17beta-[1-Methyl-3-(1N-(4N-cinnamyl)piperazin-1-yl)carboxypropyl]etiocholanShow More⌵
Mol. Formula:
C37H56N2O2
M.W.:
560.87
Type:
Small molecule
AlogP:
7.28
Polar Surface Area:
43.78
HBA:
3
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA506973 Name:
17beta-[1-Methyl-3-(1N-(4N-(pyrimidyl-2-yl))piperazin-1-yl)carboxypropyl]etShow More⌵
Mol. Formula:
C32H50N4O3
M.W.:
538.78
Type:
Small molecule
AlogP:
4.53
Polar Surface Area:
89.79
HBA:
6
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.57
DETAILS
CLOSE
ALA446643 Name:
17beta-[1-Methyl-3-(1N-(4N-(pyrimidyl-2-yl))piperazin-1-yl)carboxypropyl]etShow More⌵
Mol. Formula:
C32H50N4O2
M.W.:
522.78
Type:
Small molecule
AlogP:
5.56
Polar Surface Area:
69.56
HBA:
5
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
ALA507439 Name:
17beta-[1-Methyl-3-(1N-(4N-(pyridin-2-yl))piperazin-1-yl)-carboxypropyl]etiShow More⌵
Mol. Formula:
C33H51N3O3
M.W.:
537.79
Type:
Small molecule
AlogP:
5.14
Polar Surface Area:
76.90
HBA:
5
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA444704 Name:
17beta-[1-Methyl-3-(1N-(4N-(pyridin-2-yl))piperazin-1-yl)-carboxypropyl]etiShow More⌵
Mol. Formula:
C33H51N3O2
M.W.:
521.79
Type:
Small molecule
AlogP:
6.17
Polar Surface Area:
56.67
HBA:
4
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
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