Compounds

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ALA4212280
Name:
Biseokeaniamide A
Mol. Formula:
C42H65N7O6S
M.W.:
796.09
16 activity values
5 unique targets
Type:
Small molecule
AlogP:
4.46
Polar Surface Area:
143.54
HBA:
8
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
19
Passes Ro3:
N
QED Weighted:
0.22
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ALA4207391
Name:
Biseokeaniamide B
Mol. Formula:
C41H63N7O6S
M.W.:
782.06
9 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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ALA3941429
Name:
(rac)-4'-(benzylamino)-1-methyl-6'-propyl-3',4',5',6'-tetrahydrospiro[indolShow More⌵
Mol. Formula:
C23H28N2O2
M.W.:
364.49
4 activity values
2 unique targets
Type:
Small molecule
AlogP:
4.00
Polar Surface Area:
41.57
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.87
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ALA3932453
Name:
(rac)-4'-(benzylamino)-4-bromo-1-methyl-6'-propyl-3',4',5',6'-tetrahydrospiShow More⌵
Mol. Formula:
C23H27BrN2O2
M.W.:
443.38
4 activity values
2 unique targets
Type:
Small molecule
AlogP:
4.76
Polar Surface Area:
41.57
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.72
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ALA3894947
Name:
4-benzyl-N-(2,6-diisopropylphenyl)-3-oxo-5-phenylpentanamide
Mol. Formula:
C30H35NO2
M.W.:
441.62
4 activity values
4 unique targets
Type:
Small molecule
AlogP:
6.93
Polar Surface Area:
46.17
HBA:
2
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
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