Compounds

Type:
---

AlogP:
2.59

Polar Surface Area:
32.26

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.86

DETAILS

ALA5197748

Name:
((1R,3S)-7-chloro-1-(pyridin-3-yl)-1,2,3,4-tetrahydroisoquinolin-3-yl)methaShow More⌵

Mol. Formula:
C15H15ClN2O

M.W.:
274.75

Type:
---

AlogP:
2.33

Polar Surface Area:
45.15

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.88

DETAILS

ALA5196998

Name:
N'-(3,4-dimethoxybenzylidene)-2-(naphthalen-1-yl)acetohydrazide

Mol. Formula:
C21H20N2O3

M.W.:
348.40

Type:
---

AlogP:
3.55

Polar Surface Area:
59.92

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA5196346

Name:
((1S,3S)-7-chloro-1-(pyridin-4-yl)-1,2,3,4-tetrahydroisoquinolin-3-yl)methaShow More⌵

Mol. Formula:
C15H15ClN2O

M.W.:
274.75

Type:
---

AlogP:
2.33

Polar Surface Area:
45.15

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.88

DETAILS

ALA5204424

Name:
(7-chloro-1-phenylisoquinolin-3-yl)methanol

Mol. Formula:
C16H12ClNO

M.W.:
269.73

Type:
---

AlogP:
4.05

Polar Surface Area:
33.12

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA5203756

Name:
((1S,3S)-6-chloro-1-(3-chloro-5-fluorophenyl)-1,2,3,4-tetrahydro-2,7-naphthShow More⌵

Mol. Formula:
C15H13Cl2FN2O

M.W.:
327.19

Type:
---

AlogP:
3.12

Polar Surface Area:
45.15

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA5202815

Name:
((1S,3S)-7-chloro-1-(3-chlorophenyl)-1,2,3,4-tetrahydroisoquinolin-3-yl)metShow More⌵

Mol. Formula:
C16H15Cl2NO

M.W.:
308.21

Type:
---

AlogP:
3.59

Polar Surface Area:
32.26

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA5209164

Name:
((1S,3S)-6-chloro-1-phenyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol

Mol. Formula:
C16H16ClNO

M.W.:
273.76

Type:
---

AlogP:
2.94

Polar Surface Area:
32.26

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.88

DETAILS

ALA5209032

Name:
1-allyl-3-(3-methylbenzo[d]thiazol-2(3H)-ylidene)thiourea

Mol. Formula:
C12H13N3S2

M.W.:
263.39

9 activity values

3 unique targets

Type:
---

AlogP:
2.20

Polar Surface Area:
29.32

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.66

DETAILS

ALA5207200

Name:
((1R,3S)-7-chloro-1-(pyridin-2-yl)-1,2,3,4-tetrahydroisoquinolin-3-yl)methaShow More⌵

Mol. Formula:
C15H15ClN2O

M.W.:
274.75

Type:
---

AlogP:
2.33

Polar Surface Area:
45.15

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.88

DETAILS

ALA5206953

Name:
(1S,3S)-7-chloro-3-(methoxymethyl)-1-phenyl-1,2,3,4-tetrahydroisoquinoline

Mol. Formula:
C17H18ClNO

M.W.:
287.79

Type:
---

AlogP:
3.59

Polar Surface Area:
21.26

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.93

DETAILS

ALA5206442

Name:
((1S,3S)-7-chloro-2-methyl-1-phenyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methShow More⌵

Mol. Formula:
C17H18ClNO

M.W.:
287.79

Type:
---

AlogP:
3.28

Polar Surface Area:
23.47

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.92

DETAILS

ALA5194924

Name:
((1S,3S)-7-chloro-1-(3-chloro-5-fluorophenyl)-1,2,3,4-tetrahydroisoquinolinShow More⌵

Mol. Formula:
C16H14Cl2FNO

M.W.:
326.20

Type:
---

AlogP:
3.73

Polar Surface Area:
32.26

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA5194405

Name:
((1S,3S)-7-chloro-1-p-tolyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol

Mol. Formula:
C17H18ClNO

M.W.:
287.79

Type:
---

AlogP:
3.24

Polar Surface Area:
32.26

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA5194127

Name:
((6S,8S)-3-chloro-8-(3-chloro-5-fluorophenyl)-5,6,7,8-tetrahydro-1,7-naphthShow More⌵

Mol. Formula:
C15H13Cl2FN2O

M.W.:
327.19

Type:
---

AlogP:
3.12

Polar Surface Area:
45.15

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA5193084

Name:
((1S,3S)-6-chloro-1-(3-chloro-5-fluorophenyl)-1,2,3,4-tetrahydroisoquinolinShow More⌵

Mol. Formula:
C16H14Cl2FNO

M.W.:
326.20

Type:
---

AlogP:
3.73

Polar Surface Area:
32.26

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA5191331

Name:
((1S,3S)-8-chloro-1-phenyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol

Mol. Formula:
C16H16ClNO

M.W.:
273.76

Type:
---

AlogP:
2.94

Polar Surface Area:
32.26

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.88

DETAILS

ALA5189636

Name:
((1S,3S)-7-chloro-1-(3,5-dichlorophenyl)-1,2,3,4-tetrahydroisoquinolin-3-ylShow More⌵

Mol. Formula:
C16H14Cl3NO

M.W.:
342.65

Type:
---

AlogP:
4.24

Polar Surface Area:
32.26

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA5188804

Name:
((1S,3S)-7-chloro-1-o-tolyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol

Mol. Formula:
C17H18ClNO

M.W.:
287.79

Type:
---

AlogP:
3.24

Polar Surface Area:
32.26

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA5188072

Name:
3-((1S,3S)-6-chloro-3-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinolin-1-yl)-5Show More⌵

Mol. Formula:
C17H14ClFN2O

M.W.:
316.76