Compounds

Type:
Small molecule

AlogP:
7.64

Polar Surface Area:
6.48

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA3217201

Name:
rac-1,3-bis(8-isopropyl-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)propaneShow More⌵

Mol. Formula:
C29H44Cl2N2

M.W.:
491.59

Type:
Small molecule

AlogP:
6.86

Polar Surface Area:
6.48

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA3216769

Name:
rac-1,3-bis((8-isopropyl-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methylShow More⌵

Mol. Formula:
C34H46Cl2N2

M.W.:
553.66

Type:
Small molecule

AlogP:
7.48

Polar Surface Area:
6.48

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA3216312

Name:
rac-1,4-bis(8-isopropyl-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)butane Show More⌵

Mol. Formula:
C30H46Cl2N2

M.W.:
505.62

Type:
Small molecule

AlogP:
7.25

Polar Surface Area:
6.48

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA3215654

Name:
rac-1,4-bis((8-isopropyl-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methylShow More⌵

Mol. Formula:
C34H46Cl2N2

M.W.:
553.66

Type:
Small molecule

AlogP:
7.48

Polar Surface Area:
6.48

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA1909932

Name:
1,1'-(1,4-phenylenebis(methylene))bis(8-isopropyl-2-methylisoquinolinium)ioShow More⌵

Mol. Formula:
C34H38I2N2

M.W.:
728.50

Type:
Small molecule

AlogP:
7.07

Polar Surface Area:
7.76

HBA:
---

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA1909931

Name:
1,1'-(1,3-phenylenebis(methylene))bis(8-isopropyl-2-methylisoquinolinium)ioShow More⌵

Mol. Formula:
C34H38I2N2

M.W.:
728.50

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
7.07

Polar Surface Area:
7.76

HBA:
---

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA1909930

Name:
1,1'-(pentane-1,5-diyl)bis(8-isopropyl-2-methylisoquinolinium)iodide

Mol. Formula:
C31H40I2N2

M.W.:
694.48

Type:
Small molecule

AlogP:
6.84

Polar Surface Area:
7.76

HBA:
---

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA1909929

Name:
1,1'-(butane-1,4-diyl)bis(8-isopropyl-2-methylisoquinolinium)iodide

Mol. Formula:
C30H38I2N2

M.W.:
680.46

Type:
Small molecule

AlogP:
6.45

Polar Surface Area:
7.76

HBA:
---

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA1909928

Name:
1,1'-(propane-1,3-diyl)bis(8-isopropyl-2-methylisoquinolinium)iodide

Mol. Formula:
C29H36I2N2

M.W.:
666.43