Compounds

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1α-Hydroxy-5， 6-trans-vitamin D3
Name:
5-{2-[1-(1,5-Dimethyl-hexyl)-7a-methyl-octahydro-inden-4-ylidene]-ethylidenShow More⌵
Mol. Formula:
C27H44O2
M.W.:
400.65
2 activity values
2 unique targets
Type:
Small molecule
AlogP:
6.59
Polar Surface Area:
40.46
HBA:
2
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
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ALA3350875
Name:
6-{4-[2-(5-Hydroxy-2-methylene-cyclohexylidene)-ethylidene]-7a-methyl-octahShow More⌵
Mol. Formula:
C27H44O3
M.W.:
416.65
2 activity values
2 unique targets
Type:
Small molecule
AlogP:
5.71
Polar Surface Area:
60.69
HBA:
3
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
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(24R)-24,25-Dihydroxyvitamin D3 solution
Name:
6-{4-[2-(5-Hydroxy-2-methylene-cyclohexylidene)-ethylidene]-7a-methyl-octahShow More⌵
Mol. Formula:
C27H44O3
M.W.:
416.65
14 activity values
10 unique targets
Type:
Small molecule
AlogP:
5.70
Polar Surface Area:
60.69
HBA:
3
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
ALA299592
Name:
(1R,2R,3R)-5-[2-[(3aS,7aR)-1-((R)-5-Hydroxy-1,5-dimethyl-hexyl)-7a-methyl-oShow More⌵
Mol. Formula:
C30H50O5
M.W.:
490.73
6 activity values
3 unique targets
Type:
Small molecule
AlogP:
5.08
Polar Surface Area:
90.15
HBA:
5
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
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ALA846
Name:
(1R,3S)-5-[2-[1-((R)-5-Hydroxy-1,5-dimethyl-hexyl)-7a-methyl-octahydro-indeShow More⌵
Mol. Formula:
C27H44O3
M.W.:
416.65
1,194 activity values
152 unique targets
Type:
Small molecule
AlogP:
5.70
Polar Surface Area:
60.69
HBA:
3
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE