Compounds

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ALA3310505
Name:
Romidepsin
Mol. Formula:
C24H36N4O6S2
M.W.:
540.71
124 activity values
63 unique targets
Type:
Small molecule
AlogP:
1.43
Polar Surface Area:
142.70
HBA:
8
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.18
DETAILS
CLOSE
ALA1214762
Name:
9-{4-[4-({[(2S,3R,4S,6R)-2-{[(2R,4R,5R,6R,8R,11R,12S,19R,20R)-11-ethyl-4-meShow More⌵
Mol. Formula:
C50H77N7O11
M.W.:
952.20
17 activity values
12 unique targets
Type:
Small molecule
AlogP:
6.14
Polar Surface Area:
216.47
HBA:
16
HBD:
3
#RO5 Violations:
3
#Rotatable Bonds:
17
Passes Ro3:
N
QED Weighted:
0.05
DETAILS
CLOSE
ALA1214761
Name:
8-{4-[4-({[(2S,3R,4S,6R)-2-{[(2R,4R,5R,6R,8R,11R,12S,19R,20R)-11-ethyl-4-meShow More⌵
Mol. Formula:
C49H75N7O11
M.W.:
938.18
17 activity values
12 unique targets
Type:
Small molecule
AlogP:
5.75
Polar Surface Area:
216.47
HBA:
16
HBD:
3
#RO5 Violations:
3
#Rotatable Bonds:
16
Passes Ro3:
N
QED Weighted:
0.06
DETAILS
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(S)-6-Acetamido-2-(2-((S)-2-acetamido-4-methylpentanamido)acetamido)-N-(4-methyl-2-oxo-2H-chromen-7-yl)hexanamide
Name:
(S)-6-acetamido-2-(2-((S)-2-acetamido-4-methylpentanamido)acetamido)-N-(4-mShow More⌵
Mol. Formula:
C28H39N5O7
M.W.:
557.65
24 activity values
17 unique targets
Type:
Small molecule
AlogP:
1.50
Polar Surface Area:
175.71
HBA:
7
HBD:
5
#RO5 Violations:
1
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.17
DETAILS
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Panobinostat (LBH589)
Name:
N-hydroxy-3-(4-(((2-hydroxyethyl)(2-(2-methyl-1H-indol-3-yl)ethyl)amino)metShow More⌵
Mol. Formula:
C21H23N3O2
M.W.:
349.43
486 activity values
92 unique targets
Type:
Small molecule
AlogP:
3.33
Polar Surface Area:
77.15
HBA:
3
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.23
DETAILS
CLOSE