Compounds

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ALA3714795
Name:
(rel)-4-((3aS,11cS)-2,3,3a,4,5,11c-hexahydrobenzo[f]furo[3,2-c]quinolin-4-yShow More⌵
Mol. Formula:
C22H19NO3
M.W.:
345.40
3 activity values
2 unique targets
Type:
Small molecule
AlogP:
4.78
Polar Surface Area:
58.56
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.70
DETAILS
CLOSE
ALA3715206
Name:
(rel)-4-((4aS,5S,10bS)-8,9-dimethyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-Show More⌵
Mol. Formula:
C21H23NO3
M.W.:
337.42
3 activity values
2 unique targets
Type:
Small molecule
AlogP:
4.64
Polar Surface Area:
58.56
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.84
DETAILS
CLOSE
ALA3718791
Name:
(rel)-2-(4-((4aS,5S,10bS)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolinShow More⌵
Mol. Formula:
C20H21NO3
M.W.:
323.39
3 activity values
2 unique targets
Type:
Small molecule
AlogP:
3.95
Polar Surface Area:
58.56
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.90
DETAILS
CLOSE
ALA3719031
Name:
(rel)-methyl 4-((4aS,5S,10bS)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinShow More⌵
Mol. Formula:
C20H21NO3
M.W.:
323.39
3 activity values
2 unique targets
Type:
Small molecule
AlogP:
4.11
Polar Surface Area:
47.56
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.85
DETAILS
CLOSE