Compounds

ALA2111758

Name:
1-(8-Methoxy-4-o-tolylamino-quinolin-3-yl)-propan-
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Mol. Formula:
C20H20N2O3

M.W.:
336.39

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.12

Polar Surface Area:
60.45

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA1203150

Name:
N*4*-o-Tolyl-quinoline-3,4-diamine (1.75 Hydrochlo
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Mol. Formula:
C16H16ClN3

M.W.:
285.78

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.87

Polar Surface Area:
50.94

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA542457

Name:
8-Methoxy-4-phenylamino-quinoline-3-carboxylic aci
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Mol. Formula:
C19H19ClN2O3

M.W.:
358.83

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.16

Polar Surface Area:
60.45

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA553136

Name:
8-Methoxy-4-o-tolylamino-quinoline-3-carboxylic ac
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Mol. Formula:
C18H17ClN2O3

M.W.:
344.80

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.99

Polar Surface Area:
71.45

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA552895

Name:
8-Methoxy-4-o-tolylamino-quinoline-3-carboxylic ac
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Mol. Formula:
C20H21ClN2O3

M.W.:
372.85

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.47

Polar Surface Area:
60.45

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA543879

Name:
[3-(1-Methyl-1H-tetrazol-5-yl)-quinolin-4-yl]-o-to
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Mol. Formula:
C18H17ClN6

M.W.:
352.83

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.48

Polar Surface Area:
68.52

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA545745

Name:
Quinolin-4-yl-o-tolyl-amine hydrochloride (0.6isop
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Mol. Formula:
C16H15ClN2

M.W.:
270.76

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.29

Polar Surface Area:
24.92

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA556023

Name:
4-o-Tolylamino-quinoline-3-carboxylic acid ethyl e
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Mol. Formula:
C19H19ClN2O2

M.W.:
342.83

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.46

Polar Surface Area:
51.22

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA520840

Name:
methyl 2,6,13-trimethyl-12-oxo-8-phenylcarbonyloxy
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Mol. Formula:
C28H36O5

M.W.:
452.59

13 activity values

3 unique targets

Type:
Small molecule

AlogP:
5.37

Polar Surface Area:
69.67

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA155083

Name:
N-{6-[2-(2-Dimethylamino-phenylmethanesulfinyl)-im
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Mol. Formula:
C19H21N5O2S

M.W.:
383.48

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.60

Polar Surface Area:
86.11

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA348090

Name:
Dimethyl-{2-[1-(5-nitro-pyridin-2-yl)-1H-imidazole
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Mol. Formula:
C17H17N5O3S

M.W.:
371.42

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.55

Polar Surface Area:
100.15

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA154737

Name:
6-[2-(2-Dimethylamino-phenylmethanesulfinyl)-imida
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Mol. Formula:
C18H17N5OS

M.W.:
351.44

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.51

Polar Surface Area:
80.80

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA157099

Name:
Dimethyl-{2-[1-(5-methyl-pyridin-2-yl)-1H-imidazol
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Mol. Formula:
C18H20N4OS

M.W.:
340.45

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.95

Polar Surface Area:
57.01

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA157861

Name:
{2-[1-(5-Methoxy-pyridin-2-yl)-1H-imidazole-2-sulf
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Mol. Formula:
C18H20N4O2S

M.W.:
356.45

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.65

Polar Surface Area:
66.24

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA157751

Name:
Dimethyl-(2-{1-[4-(2,2,2-trifluoro-ethoxy)-pyridin
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Mol. Formula:
C19H19F3N4O2S

M.W.:
424.45

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.58

Polar Surface Area:
66.24

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA157835

Name:
Dimethyl-[2-(1-pyridin-2-yl-4,5,6,7-tetrahydro-1H-
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Mol. Formula:
C21H24N4OS

M.W.:
380.52

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.52

Polar Surface Area:
57.01

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA347149

Name:
2-[1-(3-Methyl-pyridin-2-yl)-1,4,5,6-tetrahydro-cy
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Mol. Formula:
C19H20N4OS

M.W.:
352.46

9 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.95

Polar Surface Area:
79.79

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA347356

Name:
Dimethyl-[2-(1-methyl-4-phenyl-1H-imidazole-2-sulf
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Mol. Formula:
C19H21N3OS

M.W.:
339.46

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.46

Polar Surface Area:
44.12

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA158292

Name:
{2-[1-(5-Chloro-pyridin-2-yl)-1H-imidazole-2-sulfi
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Mol. Formula:
C17H17ClN4OS

M.W.:
360.87

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.29

Polar Surface Area:
57.01

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA157726

Name:
Dimethyl-{2-[1-(2-pyridin-2-yl-ethyl)-1H-imidazole
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Mol. Formula:
C19H22N4OS

M.W.:
354.48

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.89

Polar Surface Area:
57.01

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.61

DETAILS