Compounds

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ALA1254180
Name:
3-((Z)-4-(((S)-2-(3,4-dimethoxyphenyl)propyl)(methyl)amino)but-2-enyl)-7,8-Show More⌵
Mol. Formula:
C28H36N2O5
M.W.:
480.61
6 activity values
4 unique targets
Type:
Small molecule
AlogP:
4.37
Polar Surface Area:
60.47
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA1253993
Name:
3-((E)-4-((3,4-dimethoxyphenethyl)(methyl)amino)but-2-enyl)-7,8-dimethoxy-1Show More⌵
Mol. Formula:
C27H34N2O5
M.W.:
466.58
6 activity values
4 unique targets
Type:
Small molecule
AlogP:
3.81
Polar Surface Area:
60.47
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA1253477
Name:
3,3'-((2Z,2'Z)-4,4'-(3,4-dimethoxyphenethylazanediyl)bis(but-2-ene-4,1-diylShow More⌵
Mol. Formula:
C42H49N3O8
M.W.:
723.87
6 activity values
4 unique targets
Type:
Small molecule
AlogP:
5.81
Polar Surface Area:
99.24
HBA:
9
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
17
Passes Ro3:
N
QED Weighted:
0.16
DETAILS
CLOSE
ALA1253476
Name:
3,3'-((2Z,2'Z)-4,4'-((S)-2-(3,4-dimethoxyphenyl)propylazanediyl)bis(but-2-eShow More⌵
Mol. Formula:
C43H51N3O8
M.W.:
737.89
6 activity values
4 unique targets
Type:
Small molecule
AlogP:
6.37
Polar Surface Area:
99.24
HBA:
9
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
17
Passes Ro3:
N
QED Weighted:
0.15
DETAILS
CLOSE
MEL57A
Name:
3,3'-((2Z,2'Z)-4,4'-((R)-2-(3,4-dimethoxyphenyl)propylazanediyl)bis(but-2-eShow More⌵
Mol. Formula:
C43H51N3O8
M.W.:
737.89
10 activity values
4 unique targets
Type:
Small molecule
AlogP:
6.37
Polar Surface Area:
99.24
HBA:
9
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
17
Passes Ro3:
N
QED Weighted:
0.15
DETAILS
CLOSE