Compounds

13 unique targets

Type:
Small molecule

AlogP:
3.42

Polar Surface Area:
21.70

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA2385325

Name:
5-(6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)pentyl 4-methoShow More⌵

Mol. Formula:
C27H38N2O5

M.W.:
470.61

Type:
Small molecule

AlogP:
4.77

Polar Surface Area:
69.26

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA2385324

Name:
5-(6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)pentyl 4-chlorShow More⌵

Mol. Formula:
C26H35ClN2O4

M.W.:
475.03

Type:
Small molecule

AlogP:
5.42

Polar Surface Area:
60.03

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA2385323

Name:
5-(6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)pentyl 4-fluorShow More⌵

Mol. Formula:
C26H35FN2O4

M.W.:
458.57

Type:
Small molecule

AlogP:
4.90

Polar Surface Area:
60.03

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA2385322

Name:
5-(6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)pentyl phenethShow More⌵

Mol. Formula:
C26H36N2O4

M.W.:
440.58

Type:
Small molecule

AlogP:
4.76

Polar Surface Area:
60.03

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA2385321

Name:
5-(6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)pentyl 4-methoShow More⌵

Mol. Formula:
C25H34N2O5

M.W.:
442.56

Type:
Small molecule

AlogP:
5.05

Polar Surface Area:
69.26

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA2385320

Name:
5-(6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)pentyl 4-chlorShow More⌵

Mol. Formula:
C24H31ClN2O4

M.W.:
446.98

Type:
Small molecule

AlogP:
5.70

Polar Surface Area:
60.03

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA2385318

Name:
5-(6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)pentyl phenylcShow More⌵

Mol. Formula:
C24H32N2O4

M.W.:
412.53

13 activity values

Type:
Small molecule

AlogP:
5.04

Polar Surface Area:
60.03

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA2385317

Name:
5-(6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)pentyl 3-(4-meShow More⌵

Mol. Formula:
C27H37NO5

M.W.:
455.60

Type:
Small molecule

AlogP:
4.98

Polar Surface Area:
57.23

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA2385316

Name:
5-(6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)pentyl 3-(4-chShow More⌵

Mol. Formula:
C26H34ClNO4

M.W.:
460.01

Type:
Small molecule

AlogP:
5.62

Polar Surface Area:
48.00

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA2385315

Name:
5-(6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)pentyl 3-(4-flShow More⌵

Mol. Formula:
C26H34FNO4

M.W.:
443.56

Type:
Small molecule

AlogP:
5.11

Polar Surface Area:
48.00

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA2385314

Name:
5-(6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)pentyl 3-phenyShow More⌵

Mol. Formula:
C26H35NO4

M.W.:
425.57

Type:
Small molecule

AlogP:
4.97

Polar Surface Area:
48.00

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA2385313

Name:
5-(6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)pentyl 4-methoShow More⌵

Mol. Formula:
C25H33NO5

M.W.:
427.54

Type:
Small molecule

AlogP:
4.66

Polar Surface Area:
57.23

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA2385312

Name:
5-(6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)pentyl 4-chlorShow More⌵

Mol. Formula:
C24H30ClNO4

M.W.:
431.96

Type:
Small molecule

AlogP:
5.30

Polar Surface Area:
48.00

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA2385311

Name:
5-(6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)pentyl 4-fluorShow More⌵

Mol. Formula:
C24H30FNO4

M.W.:
415.51

13 activity values

Type:
Small molecule

AlogP:
4.79

Polar Surface Area:
48.00

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA2385310

Name:
5-(6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)pentyl benzoatShow More⌵

Mol. Formula:
C24H31NO4

M.W.:
397.52