Compounds

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N,N′-Bis(2-aminoethyl)-1,3-propanediamine
Name:
N,N'-bis-(3-aminoethyl)-1,3-propanediamine
Mol. Formula:
C7H20N4
M.W.:
160.26
14 activity values
14 unique targets
Type:
Small molecule
AlogP:
-1.53
Polar Surface Area:
76.10
HBA:
4
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
4-(2-Aminoethyl)morpholine
Name:
4-(2-aminoethyl)-morpholine
Mol. Formula:
C6H14N2O
M.W.:
130.19
58 activity values
21 unique targets
Type:
Small molecule
AlogP:
-0.72
Polar Surface Area:
38.49
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
Y
QED Weighted:
0.54
DETAILS
CLOSE
1-(2-Aminoethyl)piperazine
Name:
1-(2-aminoethyl)-piperazine
Mol. Formula:
C6H15N3
M.W.:
129.21
77 activity values
28 unique targets
Type:
Small molecule
AlogP:
-1.15
Polar Surface Area:
41.29
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
Y
QED Weighted:
0.49
DETAILS
CLOSE
3,4-Dihydroxy-D-phenylalanine
Name:
D-dopa
Mol. Formula:
C9H11NO4
M.W.:
197.19
104 activity values
43 unique targets
Type:
Small molecule
AlogP:
0.05
Polar Surface Area:
103.78
HBA:
4
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE