Compounds

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ALA4226506
Name:
(1R,4aS,E)-6-Bromo-9-((2-(3,5-dimethylisoxazole-4-
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Mol. Formula:
C27H36BrN3O6S
M.W.:
610.57

17 activity values

9 unique targets
Type:
Small molecule
AlogP:
5.43
Polar Surface Area:
131.09
HBA:
7
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.30
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ALA2332990
Name:
2-methoxy-1,3-dinitroanthracene-9,10-dione

Mol. Formula:
C15H8N2O7
M.W.:
328.24

9 activity values

6 unique targets
Type:
Small molecule
AlogP:
2.29
Polar Surface Area:
129.65
HBA:
7
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.53
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ALA2332982
Name:
5-methoxy-4,6-dinitro-7H-dibenzo[de,h]quinolin-7-o
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Mol. Formula:
C17H9N3O6
M.W.:
351.27

5 activity values

5 unique targets
Type:
Small molecule
AlogP:
3.27
Polar Surface Area:
125.47
HBA:
7
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.41
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ALA2203608
Name:
Dehydrotrametenolic acid

Cas Number:
29220-16-4

Mol. Formula:
C30H46O3
M.W.:
454.70

6 activity values

6 unique targets
Type:
Small molecule
AlogP:
7.32
Polar Surface Area:
57.53
HBA:
2
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
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