Compounds

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ALA4226572
Name:
(-)-Oxoicinianin lactam A
Mol. Formula:
C27H35NO7
M.W.:
485.58
3 activity values
2 unique targets
Type:
Small molecule
AlogP:
2.81
Polar Surface Area:
121.21
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
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ALA2398352
Name:
(E/Z)-3'-Deimino-4'-demethyl-3'-oxoaplysinopsin
Mol. Formula:
C13H11N3O2
M.W.:
241.25
2 activity values
2 unique targets
Type:
Small molecule
AlogP:
1.69
Polar Surface Area:
65.20
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.59
DETAILS
CLOSE
ALA2398350
Name:
(E/Z)-3'-deimino-3'-oxoaplysinopsin
Mol. Formula:
C14H13N3O2
M.W.:
255.28
2 activity values
2 unique targets
Type:
Small molecule
AlogP:
2.03
Polar Surface Area:
56.41
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
Y
QED Weighted:
0.63
DETAILS
CLOSE
ALA1093847
Name:
8-hydroxyircinialactam B
Mol. Formula:
C27H39NO7
M.W.:
489.61

Type:
Small molecule
AlogP:
4.57
Polar Surface Area:
124.37
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
CLOSE