Compounds

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ALA164809
Name:
N,N-Dimethyl-4-[7-(3-methyl-isoxazol-5-yl)-heptyloxy]-benzamide
Mol. Formula:
C20H28N2O3
M.W.:
344.46
3 activity values
3 unique targets
Type:
Small molecule
AlogP:
4.26
Polar Surface Area:
55.57
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.60
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ALA353125
Name:
3-Methyl-5-[7-(4-nitro-phenoxy)-heptyl]-isoxazole
Mol. Formula:
C17H22N2O4
M.W.:
318.37
3 activity values
3 unique targets
Type:
Small molecule
AlogP:
4.46
Polar Surface Area:
78.40
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA162218
Name:
2-[6-(3,5-Diethyl-isoxazol-4-yl)-hexyloxy]-5-methoxy-benzoic acid methyl esShow More⌵
Mol. Formula:
C22H31NO5
M.W.:
389.49
3 activity values
3 unique targets
Type:
Small molecule
AlogP:
4.78
Polar Surface Area:
70.79
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA165169
Name:
3,5-Diethyl-4-[6-(4-methylsulfanyl-phenoxy)-hexyl]-isoxazole
Mol. Formula:
C20H29NO2S
M.W.:
347.52
3 activity values
3 unique targets
Type:
Small molecule
AlogP:
5.70
Polar Surface Area:
35.26
HBA:
4
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE