Compounds

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ALA206839
Name:
(S)-3-(2-((4aR,6aS,7R,10aS,10bR)-3-hexyl-6a,10b-dimethyl-8-methylene-decahyShow More⌵
Mol. Formula:
C27H42O5
M.W.:
446.63
2 activity values
2 unique targets
Type:
Small molecule
AlogP:
5.32
Polar Surface Area:
64.99
HBA:
5
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.25
DETAILS
CLOSE
ALA206309
Name:
5-butylidene-3-(2-((1R,4aS,5R,6R,8aR)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimeShow More⌵
Mol. Formula:
C24H34O4
M.W.:
386.53
3 activity values
2 unique targets
Type:
Small molecule
AlogP:
4.45
Polar Surface Area:
66.76
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA205812
Name:
3-(2-((1R,4aS,5R,6R,8aR)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylShow More⌵
Mol. Formula:
C23H32O4
M.W.:
372.51
3 activity values
2 unique targets
Type:
Small molecule
AlogP:
4.06
Polar Surface Area:
66.76
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.58
DETAILS
CLOSE
ALA205153
Name:
5-ethylidene-3-(2-((1R,4aS,5R,6R,8aR)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimeShow More⌵
Mol. Formula:
C22H30O4
M.W.:
358.48
2 activity values
2 unique targets
Type:
Small molecule
AlogP:
3.67
Polar Surface Area:
66.76
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.60
DETAILS
CLOSE