Compounds

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ALA4228016
Name:
Callyspongiamide B
Mol. Formula:
C14H19Cl6NO2
M.W.:
446.03
10 activity values
4 unique targets
Type:
Small molecule
AlogP:
5.41
Polar Surface Area:
46.17
HBA:
2
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.42
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ALA4227742
Name:
Callyspongiamide A
Mol. Formula:
C16H26Cl6N2O2
M.W.:
491.11
10 activity values
4 unique targets
Type:
Small molecule
AlogP:
5.17
Polar Surface Area:
49.41
HBA:
3
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.45
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ALA4227559
Name:
Dysamide A
Mol. Formula:
C14H20Cl6N2O2
M.W.:
461.04
10 activity values
4 unique targets
Type:
Small molecule
AlogP:
4.45
Polar Surface Area:
40.62
HBA:
2
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.58
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ALA4207917
Name:
Biseokeaniamide C
Mol. Formula:
C41H63N7O6S
M.W.:
782.06
6 activity values
4 unique targets
Type:
Small molecule
AlogP:
4.12
Polar Surface Area:
152.33
HBA:
8
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
19
Passes Ro3:
N
QED Weighted:
0.22
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ALA3898917
Name:
(2'S,6'R)-4-bromo-1-methyl-6'-propyl-5',6'-dihydrospiro[indoline-3,2'-pyranShow More⌵
Mol. Formula:
C16H18BrNO3
M.W.:
352.23
7 activity values
4 unique targets
Type:
Small molecule
AlogP:
3.17
Polar Surface Area:
46.61
HBA:
3
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.82
DETAILS
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