Compounds

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ALA5277221
Name:
Anolobine
Mol. Formula:
C17H15NO3
M.W.:
281.31

Type:
---
AlogP:
2.53
Polar Surface Area:
50.72
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.78
DETAILS
CLOSE
ALA5286314
Name:
Xylopine
Mol. Formula:
C18H17NO3
M.W.:
295.34

Type:
---
AlogP:
2.83
Polar Surface Area:
39.72
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.88
DETAILS
CLOSE
ALA5285280
Name:
Dregamine
Mol. Formula:
C21H26N2O3
M.W.:
354.45

Type:
---
AlogP:
3.04
Polar Surface Area:
62.40
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.84
DETAILS
CLOSE
ALA5266371
Name:
Ibogaine
Mol. Formula:
C20H26N2O
M.W.:
310.44

Type:
---
AlogP:
3.94
Polar Surface Area:
28.26
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.91
DETAILS
CLOSE
ALA37533
Name:
Anonaine
Mol. Formula:
C17H15NO2
M.W.:
265.31

Type:
Small molecule
AlogP:
2.83
Polar Surface Area:
30.49
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
Y
QED Weighted:
0.79
DETAILS
CLOSE