Compounds

Select all

ALA3764385
Name:
(3RS)-N-(4-Chlorobenzyl)-N-methyl-1-[1-(1-methylpiperidin-3-yl)-1H-1,2,3-trShow More⌵
Mol. Formula:
C17H24ClN5
M.W.:
333.87
3 activity values
3 unique targets
Type:
Small molecule
AlogP:
2.83
Polar Surface Area:
37.19
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.84
DETAILS
CLOSE
ALA2172353
Name:
2-[2-(4-Hydroxyphenyl)ethyl]-1,2,3,4-tetrahydroisoquinolin-6-ol
Mol. Formula:
C17H19NO2
M.W.:
269.34
18 activity values
7 unique targets
Type:
Small molecule
AlogP:
2.70
Polar Surface Area:
43.70
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
Y
QED Weighted:
0.90
DETAILS
CLOSE
ALA2172350
Name:
2-[2-(3,4-Dimethoxyphenyl)ethyl]-6-hydroxy-7-methoxy-1,2,3,4-tetrahydroisoqShow More⌵
Mol. Formula:
C20H25NO4
M.W.:
343.42
18 activity values
7 unique targets
Type:
Small molecule
AlogP:
3.02
Polar Surface Area:
51.16
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.87
DETAILS
CLOSE
ALA2172349
Name:
6-Hydroxy-7-methoxy-2-[2-(3-methoxyphenyl)ethyl]-1,2,3,4-tetrahydroisoquinoShow More⌵
Mol. Formula:
C19H23NO3
M.W.:
313.40
18 activity values
7 unique targets
Type:
Small molecule
AlogP:
3.01
Polar Surface Area:
41.93
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.92
DETAILS
CLOSE
ALA2172348
Name:
6-Hydroxy-7-methoxy-2-[2-(2-methoxyphenyl)ethyl]-1,2,3,4-tetrahydroisoquinoShow More⌵
Mol. Formula:
C19H23NO3
M.W.:
313.40
18 activity values
7 unique targets
Type:
Small molecule
AlogP:
3.01
Polar Surface Area:
41.93
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.92
DETAILS
CLOSE
ALA2172347
Name:
2-[2-(4-Chlorophenyl)ethyl]-6-hydroxy-7-methoxy-1,2,3,4-tetrahydroisoquinolShow More⌵
Mol. Formula:
C18H20ClNO2
M.W.:
317.82
19 activity values
7 unique targets
Type:
Small molecule
AlogP:
3.66
Polar Surface Area:
32.70
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.93
DETAILS
CLOSE
BM 15766 sulfate
Name:
4-(2-(4-(3-(4-chlorophenyl)allyl)piperazin-1-yl)ethyl)benzoic acid sulfuricShow More⌵
Mol. Formula:
C22H27ClN2O6S
M.W.:
482.99
1 activity values
1 unique targets
Type:
Small molecule
AlogP:
3.91
Polar Surface Area:
43.78
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.79
DETAILS
CLOSE