Compounds

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ALA1836145
Name:
Thailandepsin B

Mol. Formula:
C24H39N3O6S2
M.W.:
529.73

15 activity values

10 unique targets
Type:
Small molecule
AlogP:
2.08
Polar Surface Area:
133.83
HBA:
8
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.24
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ALA1836144
Name:
(2S,6R,9S,12R,13S)-12-sec-butyl-13-hydroxy-2-((E)-
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Mol. Formula:
C23H39N3O6S3
M.W.:
549.78

23 activity values

9 unique targets
Type:
Small molecule
AlogP:
1.11
Polar Surface Area:
133.83
HBA:
9
HBD:
6
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.14
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ALA1836142
Name:
Thailandepsin A

Cas Number:
1278522-67-0

Mol. Formula:
C23H37N3O6S3
M.W.:
547.77

58 activity values

37 unique targets
Type:
Small molecule
AlogP:
1.65
Polar Surface Area:
133.83
HBA:
9
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.23
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ALA1836042
Name:
(2S,6R,9S,12R,13S)-12-sec-butyl-13-hydroxy-2-((E)-
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Mol. Formula:
C24H41N3O6S2
M.W.:
531.74

23 activity values

9 unique targets
Type:
Small molecule
AlogP:
1.55
Polar Surface Area:
133.83
HBA:
8
HBD:
6
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.15
DETAILS
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