Compounds

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ALA5279950
Name:
Auranofin
Mol. Formula:
C19H28O2
M.W.:
288.43

Type:
---
AlogP:
4.65
Polar Surface Area:
37.30
HBA:
1
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.71
DETAILS
CLOSE
ALA2393587
Name:
2-phenoxy-N-[4-(4-{[3-(1H-pyrazol-1-yl)benzyl]amino}-1-piperidinyl)phenyl]aShow More⌵
Mol. Formula:
C29H31N5O2
M.W.:
481.60
4 activity values
1 unique targets
Type:
Small molecule
AlogP:
4.65
Polar Surface Area:
71.42
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA2393586
Name:
N-(4-(4-(2-(1H-pyrazol-1-yl)ethylamino)piperidin-1-yl)phenyl)-5-phenylpentaShow More⌵
Mol. Formula:
C27H35N5O
M.W.:
445.61
4 activity values
1 unique targets
Type:
Small molecule
AlogP:
4.49
Polar Surface Area:
62.19
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA2391043
Name:
N-[4-[4-(2-pyridin-3-yloxyethylamino)piperidin-1-yl]phenyl]pyrazine-2-carboShow More⌵
Mol. Formula:
C23H26N6O2
M.W.:
418.50
3 activity values
1 unique targets
Type:
Small molecule
AlogP:
2.76
Polar Surface Area:
92.27
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE