Compounds

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ALA5285112
Name:
(6R,9S,10S,13S)-13,14-diamino-9-(((4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidinShow More⌵
Mol. Formula:
C36H45N9O12
M.W.:
795.81

Type:
---
AlogP:
-2.07
Polar Surface Area:
333.76
HBA:
14
HBD:
11
#RO5 Violations:
3
#Rotatable Bonds:
15
Passes Ro3:
N
QED Weighted:
0.08
DETAILS
CLOSE
ALA1081790
Name:
zanthomamide
Mol. Formula:
C18H17NO3
M.W.:
295.34
3 activity values
3 unique targets
Type:
Small molecule
AlogP:
2.79
Polar Surface Area:
47.56
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.86
DETAILS
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ALA1082119
Name:
5-hydroxy-7,8-dimethoxyflavanone
Mol. Formula:
C17H16O5
M.W.:
300.31
4 activity values
4 unique targets
Type:
Small molecule
AlogP:
3.12
Polar Surface Area:
64.99
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.94
DETAILS
CLOSE
ALA1075888
Name:
beilschmieflavonoid A
Mol. Formula:
C36H38O9
M.W.:
614.69
3 activity values
3 unique targets
Type:
Small molecule
AlogP:
7.58
Polar Surface Area:
83.07
HBA:
9
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.18
DETAILS
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ALA1081775
Name:
(2S,4R)-4,5,6,7-tetramethoxyflavan
Mol. Formula:
C19H22O5
M.W.:
330.38
3 activity values
3 unique targets
Type:
Small molecule
AlogP:
3.92
Polar Surface Area:
46.15
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.83
DETAILS
CLOSE
ALA1075891
Name:
(2S,4R)-5,6,7-trimethoxyflavan-4-ol
Mol. Formula:
C18H20O5
M.W.:
316.35
3 activity values
3 unique targets
Type:
Small molecule
AlogP:
3.27
Polar Surface Area:
57.15
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.94
DETAILS
CLOSE