Compounds

Type:
Small molecule

AlogP:
3.13

Polar Surface Area:
63.39

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA1631214

Name:
2-(6,7-Dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yloxy)-N-(2-methyShow More⌵

Mol. Formula:
C18H23N3O2S

M.W.:
345.47

Type:
Small molecule

AlogP:
3.25

Polar Surface Area:
64.11

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.92

DETAILS

ALA1631213

Name:
1-(2-methylindolin-1-yl)-2-(thieno[2,3-d]pyrimidin-4-yloxy)ethanone

Mol. Formula:
C17H15N3O2S

M.W.:
325.39

Type:
Small molecule

AlogP:
3.05

Polar Surface Area:
55.32

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

WAY-608339

Name:
1-(3,4-dihydroquinolin-1(2H)-yl)-2-(2-propyl-1H-benzo[d]imidazol-1-yl)ethanShow More⌵

Mol. Formula:
C21H23N3O

M.W.:
333.44

Type:
Small molecule

AlogP:
3.97

Polar Surface Area:
38.13

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA1631211

Name:
N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-4,5,6,7-tetrahydrobenzoShow More⌵

Mol. Formula:
C18H18N2OS2

M.W.:
342.49

Type:
Small molecule

AlogP:
4.69

Polar Surface Area:
52.89

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA1631210

Name:
1-(2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-oxoethyl)benzo[cd]indol-2(1H)-one

Mol. Formula:
C19H18N2O2

M.W.:
306.37

Type:
Small molecule

AlogP:
2.81

Polar Surface Area:
40.62

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA1631209

Name:
3-(4-oxo-3,4-dihydroquinazolin-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pShow More⌵

Mol. Formula:
C21H21N3O2

M.W.:
347.42

8 activity values

7 unique targets

Type:
Small molecule

AlogP:
3.05

Polar Surface Area:
74.85

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA1631208

Name:
2-(6,7-dihydro-5H-indeno[5,6-b]furan-3-yl)-1-(indolin-1-yl)ethanone

Mol. Formula:
C21H19NO2

M.W.:
317.39

Type:
Small molecule

AlogP:
4.05

Polar Surface Area:
33.45

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA1631207

Name:
N2-cyclopentyl-N1-m-tolylpyrrolidine-1,2-dicarboxamide

Mol. Formula:
C18H25N3O2

M.W.:
315.42

Type:
Small molecule

AlogP:
3.05

Polar Surface Area:
61.44

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.90

DETAILS

ALA1631206

Name:
2-(cyclopentylamino)-2-oxoethyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carShow More⌵

Mol. Formula:
C20H22N2O3

M.W.:
338.41

Type:
Small molecule

AlogP:
2.94

Polar Surface Area:
68.29

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA1631205

Name:
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(2-methylpipShow More⌵

Mol. Formula:
C18H25N3OS

M.W.:
331.49

Type:
Small molecule

AlogP:
3.70

Polar Surface Area:
56.13

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA1631123

Name:
N-(thiophen-2-yl)-2-(2,3,3-trimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)aShow More⌵

Mol. Formula:
C18H20N2OS

M.W.:
312.44

4 activity values

Type:
Small molecule

AlogP:
3.99

Polar Surface Area:
32.34

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA1631122

Name:
N-(allylcarbamoyl)-2-(1-isobutyl-1H-benzo[d]imidazol-2-ylthio)acetamide

Mol. Formula:
C17H22N4O2S

M.W.:
346.46

Type:
Small molecule

AlogP:
2.80

Polar Surface Area:
76.02

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA1631121

Name:
2-(1H-indol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide

Mol. Formula:
C20H20N2O

M.W.:
304.39

Type:
Small molecule

AlogP:
3.38

Polar Surface Area:
44.89

HBA:
1

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA1631120

Name:
N-(pyridin-2-ylmethyl)tetracyclo[6.6.2.0^{2,7}.0^{9,14}]hexadeca-2,4,6,9(14Show More⌵

Mol. Formula:
C23H20N2O

M.W.:
340.43

Type:
Small molecule

AlogP:
4.00

Polar Surface Area:
41.99

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA1631119

Name:
2-(quinazolin-4-yloxy)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

Mol. Formula:
C20H19N3O2

M.W.:
333.39

Type:
Small molecule

AlogP:
3.20

Polar Surface Area:
64.11

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA1631118

Name:
9-(2-hydroxy-3-(piperidin-1-yl)propyl)-6-methyl-2,3,4,9-tetrahydro-1H-carbaShow More⌵

Mol. Formula:
C21H28N2O2

M.W.:
340.47

4 activity values

Type:
Small molecule

AlogP:
3.32

Polar Surface Area:
45.47

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.93

DETAILS

ALA1631117

Name:
2-(4-(cyclobutanecarbonyl)-1,4-diazepan-1-yl)-8-methylquinoline-3-carbonitrShow More⌵

Mol. Formula:
C21H24N4O

M.W.:
348.45

4 activity values

Type:
Small molecule

AlogP:
3.25

Polar Surface Area:
60.23

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA1631116

Name:
8-methyl-7-(2-(piperidin-1-yl)ethylthio)-2,3-dihydro-[1,4]dioxino[2,3-g]quiShow More⌵

Mol. Formula:
C19H24N2O2S

M.W.:
344.48

6 activity values

Type:
Small molecule

AlogP:
3.89

Polar Surface Area:
34.59

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA1631115

Name:
3-amino-N-cyclopentyl-8-methylthieno[2,3-b]quinoline-2-carboxamide

Mol. Formula:
C18H19N3OS

M.W.:
325.44

5 activity values