Compounds

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ALA555374
Name:
2-(3,4,5-trimethoxyphenylmethylene)-cycloheptanone

Mol. Formula:
C17H22O4
M.W.:
290.36

7 activity values

5 unique targets
Type:
Small molecule
AlogP:
3.63
Polar Surface Area:
44.76
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.63
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ALA244023
Name:
2,5-bis-(3,4,5-trimethoxyphenylmethylene)-cyclopen
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Mol. Formula:
C25H28O7
M.W.:
440.49

47 activity values

33 unique targets
Type:
Small molecule
AlogP:
4.57
Polar Surface Area:
72.45
HBA:
7
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
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ALA243815
Name:
2,7-bis-(3,4,5-trimethoxyphenylmethylene)-cyclohep
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Mol. Formula:
C27H32O7
M.W.:
468.55

7 activity values

5 unique targets
Type:
Small molecule
AlogP:
5.35
Polar Surface Area:
72.45
HBA:
7
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA387599
Name:
2,6-bis-(3,4,5-trimethoxyphenylmethylene)-cyclohex
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Cas Number:
312276-03-2

Mol. Formula:
C26H30O7
M.W.:
454.52

47 activity values

35 unique targets
Type:
Small molecule
AlogP:
4.96
Polar Surface Area:
72.45
HBA:
7
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
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ALA242295
Name:
1-(4-methoxyphenyl)-5-(4-nitrophenyl)-1,4-pentadie
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Mol. Formula:
C18H15NO4
M.W.:
309.32

7 activity values

5 unique targets
Type:
Small molecule
AlogP:
3.90
Polar Surface Area:
69.44
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA242294
Name:
1-(4-nitrophenyl)-5-(3,4,5-trimethoxyphenyl)-1,4-p
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Mol. Formula:
C20H19NO6
M.W.:
369.37

12 activity values

5 unique targets
Type:
Small molecule
AlogP:
3.92
Polar Surface Area:
87.90
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE