Compounds

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ALA5267102
Name:
(1r,4r)-4-(4-chlorophenyl)-N-(5-hydroxypyridin-2-yl)cyclohexanecarboxamide
Mol. Formula:
C18H19ClN2O2
M.W.:
330.82

Type:
---
AlogP:
4.35
Polar Surface Area:
62.22
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.88
DETAILS
CLOSE
ALA5280582
Name:
4-cyclohexyl-N-(5-hydroxypyridin-2-yl)benzamide
Mol. Formula:
C18H20N2O2
M.W.:
296.37

Type:
---
AlogP:
4.09
Polar Surface Area:
62.22
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.90
DETAILS
CLOSE
ALA5275998
Name:
N-((1R,2S)-1,3-dihydroxy-1-(2-tridecylcycloprop-1-enyl)propan-2-yl)octanamiShow More⌵
Mol. Formula:
C27H51NO3
M.W.:
437.71

Type:
---
AlogP:
6.59
Polar Surface Area:
69.56
HBA:
3
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
22
Passes Ro3:
N
QED Weighted:
0.13
DETAILS
CLOSE
ALA5275806
Name:
4-cyclohexyl-N-(4-hydroxyphenyl)benzamide
Mol. Formula:
C19H21NO2
M.W.:
295.38

Type:
---
AlogP:
4.69
Polar Surface Area:
49.33
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.81
DETAILS
CLOSE
ALA5268107
Name:
N-((2S,3R)-1,3-dihydroxyoctadec-6-en-2-yl)octanamide
Mol. Formula:
C26H51NO3
M.W.:
425.70

Type:
---
AlogP:
6.44
Polar Surface Area:
69.56
HBA:
3
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
22
Passes Ro3:
N
QED Weighted:
0.14
DETAILS
CLOSE
ALA5283631
Name:
N-(5-hydroxypyridin-2-yl)-7-methyloctanamide
Mol. Formula:
C14H22N2O2
M.W.:
250.34

Type:
---
AlogP:
3.33
Polar Surface Area:
62.22
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.73
DETAILS
CLOSE
ALA3765391
Name:
(2E,4E,6E,8E)-3,7-dimethyl-N-(4-oxocyclohexa-2,5-dienylidene)-9-(2,6,6-trimShow More⌵
Mol. Formula:
C26H31NO2
M.W.:
389.54
2 activity values
1 unique targets
Type:
Small molecule
AlogP:
6.18
Polar Surface Area:
46.50
HBA:
2
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE