Compounds

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Tyrphostin B44, (+) enantiomer
Name:
(S)-2-cyano-3-(3,4-dihydroxyphenyl)-N-(1-phenylethyl)acrylamide
Mol. Formula:
C18H16N2O3
M.W.:
308.34
108 activity values
58 unique targets
Type:
Small molecule
AlogP:
2.88
Polar Surface Area:
93.35
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA261556
Name:
2-(3,4-dihydroxybenzylidene)-3-oxo-4-phenylbutanenitrile
Mol. Formula:
C17H13NO3
M.W.:
279.30
2 activity values
2 unique targets
Type:
Small molecule
AlogP:
2.82
Polar Surface Area:
81.32
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA405354
Name:
2-(3,5-di-tert-butyl-4-methoxybenzylidene)malononitrile
Mol. Formula:
C19H24N2O
M.W.:
296.41
2 activity values
2 unique targets
Type:
Small molecule
AlogP:
4.72
Polar Surface Area:
56.81
HBA:
3
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.74
DETAILS
CLOSE
ALA258767
Name:
(R)-2-cyano-3-(3,4-dihydroxyphenyl)-N-(1-phenylethyl)acrylamide
Mol. Formula:
C18H16N2O3
M.W.:
308.34
121 activity values
60 unique targets
Type:
Small molecule
AlogP:
2.88
Polar Surface Area:
93.35
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE