Compounds

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ALA1929386
Name:
(8R,9S,10S,13S,14S,17S,Z)-10,13-dimethyl-3-oxo-2-(2,2,2-trifluoroethylideneShow More⌵
Mol. Formula:
C22H29F3O3
M.W.:
398.46
1 activity values
1 unique targets
Type:
Small molecule
AlogP:
5.40
Polar Surface Area:
54.37
HBA:
2
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.60
DETAILS
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ALA1929246
Name:
10-(4-hydroxy-3-methylphenyl)-10-oxodecanoic acid
Mol. Formula:
C17H24O4
M.W.:
292.37
1 activity values
1 unique targets
Type:
Small molecule
AlogP:
4.09
Polar Surface Area:
74.60
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
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ALA1929245
Name:
6-(3,4-bis(benzyloxy)phenyl)-1,2,3,4,4a,5,8,8a-octahydronaphthalene
Mol. Formula:
C30H32O2
M.W.:
424.58
1 activity values
1 unique targets
Type:
Small molecule
AlogP:
7.83
Polar Surface Area:
18.46
HBA:
2
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
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ALA1929244
Name:
N-(3-(2-(1-(4-methoxyphenyl)ethylidene)hydrazinyl)-3-oxopropanoyl)-N-p-tolyShow More⌵
Mol. Formula:
C26H25N3O4
M.W.:
443.50
1 activity values
1 unique targets
Type:
Small molecule
AlogP:
4.11
Polar Surface Area:
88.07
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.34
DETAILS
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ALA1929243
Name:
(S)-3-(4-butylphenyl)-1,3-diphenylpropan-1-one
Mol. Formula:
C25H26O
M.W.:
342.48
3 activity values
2 unique targets
Type:
Small molecule
AlogP:
6.43
Polar Surface Area:
17.07
HBA:
1
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA1929242
Name:
(S)-1-(4-(4-methoxyphenyl)piperazin-1-yl)-3-(1,2,3,4,5,6,7,8-octahydrophenaShow More⌵
Mol. Formula:
C28H38N2O3
M.W.:
450.62
3 activity values
2 unique targets
Type:
Small molecule
AlogP:
4.01
Polar Surface Area:
45.17
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE