Compounds

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ALA2270099
Name:
2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)chroman-
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Mol. Formula:
C20H20O3
M.W.:
308.38

2 activity values

2 unique targets
Type:
Small molecule
AlogP:
4.61
Polar Surface Area:
46.53
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.84
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ALA2270098
Name:
8-(3-methylbut-2-enyl)-2-phenylchroman-4-one

Mol. Formula:
C20H20O2
M.W.:
292.38

2 activity values

2 unique targets
Type:
Small molecule
AlogP:
4.90
Polar Surface Area:
26.30
HBA:
2
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.75
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ALA2228572
Name:
[2,3-dihydro-2,2-dimethyl-7-benzofuranyl[(di-n-but
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Cas Number:
55285-14-8

Mol. Formula:
C20H32N2O3S
M.W.:
380.55

73 activity values

16 unique targets
Type:
Small molecule
AlogP:
5.30
Polar Surface Area:
42.01
HBA:
5
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.54
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ALA2228571
Name:
[(S,Sdi-sec-butylO-ethyl phosphorodithioate)

Cas Number:
95465-99-9

Mol. Formula:
C10H23O2PS2
M.W.:
270.40

59 activity values

9 unique targets
Type:
Small molecule
AlogP:
5.19
Polar Surface Area:
26.30
HBA:
4
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.57
DETAILS
CLOSE