Compounds

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ALA2297086
Name:
9-p-Tolyl-6b,7,9,9a-tetrahydro-10-oxa-9-azapentale
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Mol. Formula:
C21H17NO2
M.W.:
315.37

5 activity values

5 unique targets
Type:
Small molecule
AlogP:
4.39
Polar Surface Area:
29.54
HBA:
2
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
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ALA2297085
Name:
9-Phenyl-6b,7,9,9a-tetrahydro-10-oxa-9-azapentalen
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Mol. Formula:
C20H15NO2
M.W.:
301.35

5 activity values

5 unique targets
Type:
Small molecule
AlogP:
4.08
Polar Surface Area:
29.54
HBA:
2
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA2297083
Name:
9-m-Nitrophenyl-6b,7,9,9a-tetrahydro-10-oxa-9-azap
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Mol. Formula:
C20H14N2O4
M.W.:
346.34

5 activity values

5 unique targets
Type:
Small molecule
AlogP:
3.99
Polar Surface Area:
72.68
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
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ALA477547
Name:
Oospolactone

Cas Number:
1570-27-0

Mol. Formula:
C11H10O3
M.W.:
190.20

1 activity values

1 unique targets
Type:
Small molecule
AlogP:
2.12
Polar Surface Area:
50.44
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
Y
QED Weighted:
0.69
DETAILS
CLOSE