Compounds

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ALA332466
Name:
Terephthalic acid 1-methyl ester 4-(4,4,5,7-tetram
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Mol. Formula:
C22H22O6
M.W.:
382.41

1 activity values

1 unique targets
Type:
Small molecule
AlogP:
3.90
Polar Surface Area:
78.90
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.59
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ALA334025
Name:
4-[(E)-2-((R)-2-Ethyl-1-oxo-thiochroman-6-yl)-prop
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Mol. Formula:
C23H26O3S
M.W.:
382.53

1 activity values

1 unique targets
Type:
Small molecule
AlogP:
5.26
Polar Surface Area:
49.36
HBA:
3
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
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ALA119880
Name:
4-[[(4,4-dimethyl-3,4-dihydro-2H-benzo[b]pyran-6-y
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Mol. Formula:
C20H21N3O3S
M.W.:
383.47

1 activity values

1 unique targets
Type:
Small molecule
AlogP:
3.54
Polar Surface Area:
86.27
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.21
DETAILS
CLOSE