Compounds

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ALA334809
Name:
4-Acetyl-1,1-dimethyl-1,2,3,6-tetrahydro-pyridinium iodide
Mol. Formula:
C9H16INO
M.W.:
281.14
2 activity values
2 unique targets
Type:
Small molecule
AlogP:
0.98
Polar Surface Area:
17.07
HBA:
1
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
Y
QED Weighted:
0.51
DETAILS
CLOSE
ALA1132
Name:
3-Pyrrolidin-2-yl-pyridine
Mol. Formula:
C9H12N2
M.W.:
148.21
35 activity values
22 unique targets
Type:
Small molecule
AlogP:
1.51
Polar Surface Area:
24.92
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
Y
QED Weighted:
0.65
DETAILS
CLOSE
ALA328754
Name:
Isoquinolinium chloride
Mol. Formula:
C9H8ClN
M.W.:
165.62
6 activity values
1 unique targets
Type:
Small molecule
AlogP:
2.23
Polar Surface Area:
12.89
HBA:
1
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
Y
QED Weighted:
0.53
DETAILS
CLOSE
Papaverine hydrochloride
Name:
1-(3,4-Dimethoxy-benzyl)-6,7-dimethoxy-isoquinoline chloride(papaverine hydShow More⌵
Mol. Formula:
C20H22ClNO4
M.W.:
375.85
191 activity values
117 unique targets
Type:
Small molecule
AlogP:
3.86
Polar Surface Area:
49.81
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
Acetylcholine
Name:
(2-Acetoxy-ethyl)-trimethyl-ammonium
Mol. Formula:
C7H16NO2+
M.W.:
146.21
437 activity values
125 unique targets
Type:
Small molecule
AlogP:
0.26
Polar Surface Area:
26.30
HBA:
2
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
Y
QED Weighted:
0.42
DETAILS
CLOSE
Berberine chloride form
Name:
9,10-Dimethoxy-5,6-dihydro-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinolin-7-Show More⌵
Mol. Formula:
C20H18ClNO4
M.W.:
371.82
1,127 activity values
328 unique targets
Type:
Small molecule
AlogP:
3.10
Polar Surface Area:
40.80
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE