Compounds

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ALA1917202
Name:
5-O-Docosahexaenoyloxy-1,4-naphthoquinone

Mol. Formula:
C32H36O4
M.W.:
484.64

12 activity values

6 unique targets
Type:
Small molecule
AlogP:
8.01
Polar Surface Area:
60.44
HBA:
4
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
15
Passes Ro3:
N
QED Weighted:
0.14
DETAILS
CLOSE
ALA1917201
Name:
5-O-Eicosapentaenoyloxy-1,4-naphthoquinone

Mol. Formula:
C30H34O4
M.W.:
458.60

12 activity values

6 unique targets
Type:
Small molecule
AlogP:
7.45
Polar Surface Area:
60.44
HBA:
4
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.13
DETAILS
CLOSE
ALA1917200
Name:
5-O-Linolenoyloxy-1,4-naphthoquinone

Mol. Formula:
C28H34O4
M.W.:
434.58

12 activity values

6 unique targets
Type:
Small molecule
AlogP:
7.12
Polar Surface Area:
60.44
HBA:
4
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.14
DETAILS
CLOSE
ALA1917199
Name:
5-O-Linoleoyloxy-1,4-naphthoquinone

Mol. Formula:
C28H36O4
M.W.:
436.59

12 activity values

6 unique targets
Type:
Small molecule
AlogP:
7.34
Polar Surface Area:
60.44
HBA:
4
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
15
Passes Ro3:
N
QED Weighted:
0.12
DETAILS
CLOSE
ALA1917198
Name:
5-O-{(Z)-Octadecenoyloxy}-1,4-naphthoquinone

Mol. Formula:
C28H38O4
M.W.:
438.61

45 activity values

24 unique targets
Type:
Small molecule
AlogP:
7.56
Polar Surface Area:
60.44
HBA:
4
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
16
Passes Ro3:
N
QED Weighted:
0.12
DETAILS
CLOSE