Compounds

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ALA5281819
Name:
(2R,3S)-3-hydroxy-2-(3-(6-(octyloxy)naphthalen-2-yl)-1,2,4-oxadiazol-5-yl)pShow More⌵
Mol. Formula:
C25H33N5O3
M.W.:
451.57

Type:
---
AlogP:
4.63
Polar Surface Area:
121.49
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.23
DETAILS
CLOSE
ALA4595333
Name:
(S)-2-(3-(4-(octyloxy)-3-(trifluoromethyl)phenyl)-1,2,4-oxadiazol-5-yl)pyrrShow More⌵
Mol. Formula:
C22H30F3N5O2
M.W.:
453.51
2 activity values
2 unique targets
Type:
Unknown
AlogP:
5.53
Polar Surface Area:
101.26
HBA:
5
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA4092871
Name:
(R)-2-(3-(4-(octyloxy)-3-(trifluoromethyl)phenyl)-1,2,4-oxadiazol-5-yl)pyrrShow More⌵
Mol. Formula:
C22H30F3N5O2
M.W.:
453.51
3 activity values
3 unique targets
Type:
Small molecule
AlogP:
5.53
Polar Surface Area:
101.26
HBA:
5
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA2403823
Name:
(2S,3S)-2-amino-4-(4-octylphenyl)butane-1-3-diol
Mol. Formula:
C18H31NO2
M.W.:
293.45
4 activity values
2 unique targets
Type:
Small molecule
AlogP:
2.81
Polar Surface Area:
66.48
HBA:
3
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE