Compounds

ALA4115719

Name:
US9012651, 263

Mol. Formula:

M.W.:

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3984832

Name:
US9181219, 2-[(3-chloropyridin-2-yl)sulfanyl]-1-(8-methoxy-1,2,3,4-tetrahydShow More⌵

Mol. Formula:
C17H17ClN2O2S

M.W.:
348.86

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.82

Polar Surface Area:
42.43

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA3984024

Name:
US9181219, 21

Mol. Formula:
C16H15ClN2OS

M.W.:
318.83

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.81

Polar Surface Area:
33.20

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA3973578

Name:
US9181219, 2-[(4,5-dimethylpyridin-2-yl)sulfanyl]-1-(8-methyl-1,2,3,4-tetraShow More⌵

Mol. Formula:
C19H22N2OS

M.W.:
326.47

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.08

Polar Surface Area:
33.20

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA3966371

Name:
US9181219, methyl 5-chloro-6-{[2-(8-methyl-1,2,3,4-tetrahydroquinolin-1-yl)Show More⌵

Mol. Formula:
C19H19ClN2O3S

M.W.:
390.89

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.90

Polar Surface Area:
59.50

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA3964918

Name:
US9181219, 2-[(3,5-dichloropyridin-2-yl)sulfanyl]-1-(8-methyl-1,2,3,4-tetraShow More⌵

Mol. Formula:
C17H16Cl2N2OS

M.W.:
367.30

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.77

Polar Surface Area:
33.20

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA3955225

Name:
US9181219, 2-{[3-fluoro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl}-1-(8-methShow More⌵

Mol. Formula:
C18H16F4N2OS

M.W.:
384.40

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.62

Polar Surface Area:
33.20

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA3949939

Name:
US9181219, 10

Mol. Formula:
C18H16ClF3N2OS

M.W.:
400.85

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.13

Polar Surface Area:
33.20

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA3947726

Name:
US9181219, 16

Mol. Formula:
C17H17ClN2OS

M.W.:
332.86

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.11

Polar Surface Area:
33.20

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA3943107

Name:
US9181219, 1-(1,2,3,4-tetrahydroquinolin-1-yl)-2-{[5-(trifluoromethyl)pyridShow More⌵

Mol. Formula:
C17H15F3N2OS

M.W.:
352.38

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.17

Polar Surface Area:
33.20

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA3941182

Name:
US9181219, 8

Mol. Formula:
C18H17F3N2OS

M.W.:
366.41

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.48

Polar Surface Area:
33.20

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA3940143

Name:
US9181219, 2-[(5-bromopyridin-2-yl)sulfanyl]-1-(8-methyl-1,2,3,4-tetrahydroShow More⌵

Mol. Formula:
C17H17BrN2OS

M.W.:
377.31

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.22

Polar Surface Area:
33.20

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA3935293

Name:
US9181219, 2-{[3-ethyl-5-(trifluoromethyl)pyridin-2-yl]sulfanyl}-1-(8-methyShow More⌵

Mol. Formula:
C20H21F3N2OS

M.W.:
394.46

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.04

Polar Surface Area:
33.20

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA3933377

Name:
US9181219, 2-{[2-(8-methyl-1,2,3,4-tetrahydroquinolin-1-yl)-2-oxoethyl]sulfShow More⌵

Mol. Formula:
C18H17N3OS

M.W.:
323.42

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.33

Polar Surface Area:
56.99

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA3927610

Name:
US9181219, 6-{[2-(8-methyl-1,2,3,4-tetrahydroquinolin-1-yl)-2-oxoethyl]sulfShow More⌵

Mol. Formula:
C18H17N3OS

M.W.:
323.42

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.33

Polar Surface Area:
56.99

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA3923819

Name:
US9181219, 20

Mol. Formula:
C17H17ClN2OS

M.W.:
332.86

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.11

Polar Surface Area:
33.20

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA3918683

Name:
US9181219, 24

Mol. Formula:
C18H20N2OS

M.W.:
312.44

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.77

Polar Surface Area:
33.20

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA3914539

Name:
US9012651, 199

Mol. Formula:
C18H27FN2O

M.W.:
306.43

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.23

Polar Surface Area:
45.15

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA3913189

Name:
US9181219, 12

Mol. Formula:
C17H18N2OS

M.W.:
298.41

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.46

Polar Surface Area:
33.20

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA3911596

Name:
US9181219, 2-{[2-(8-methyl-1,2,3,4-tetrahydroquinolin-1-yl)-2-oxoethyl]sulfShow More⌵

Mol. Formula:
C18H17N3OS

M.W.:
323.42

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.33

Polar Surface Area:
56.99

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.81

DETAILS