Compounds

ALA5094886

Name:
N-((6-(hydroxymethyl)piperidin-2-yl)methyl)-12-oxo-12H-benzo[g]pyrido[2,1-bShow More⌵

Mol. Formula:
C24H24N4O3

M.W.:
416.48

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.23

Polar Surface Area:
95.73

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA5094505

Name:
12-oxo-N-(2-(pyrrolidin-1-yl)ethyl)-7,9,10,12-tetrahydro-8H-benzo[g]pyrido[Show More⌵

Mol. Formula:
C23H26N4O2

M.W.:
390.49

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.55

Polar Surface Area:
66.71

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA5093823

Name:
2,2-difluoro-11-oxo-N-(2-(pyrrolidin-1-yl)ethyl)-11H-[1,3]dioxolo[4,5-g]pyrShow More⌵

Mol. Formula:
C20H18F2N4O4

M.W.:
416.38

1 activity values

1 unique targets

Type:
Unknown

AlogP:
1.99

Polar Surface Area:
85.17

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA5093028

Name:
12-oxo-N-(pyrrolidin-2-ylmethyl)-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carShow More⌵

Mol. Formula:
C22H20N4O2

M.W.:
372.43

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.48

Polar Surface Area:
75.50

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA5092630

Name:
N-(2-(1,1-dioxidothiomorpholino)ethyl)-12-oxo-12H-benzo[g]pyrido[2,1-b]quinShow More⌵

Mol. Formula:
C23H22N4O4S

M.W.:
450.52

1 activity values

1 unique targets

Type:
Unknown

AlogP:
1.46

Polar Surface Area:
100.85

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA5091868

Name:
N-(2-(pyrrolidin-1-yl)ethyl)naphtho[2',3':4,5]imidazo[1,2-a]pyridine-4-carbShow More⌵

Mol. Formula:
C22H22N4O

M.W.:
358.45

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.47

Polar Surface Area:
49.64

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA5091418

Name:
N-((1-methylpyrrolidin-2-yl)methyl)-12-oxo-12H-benzo[g]pyrido[2,1-b]quinazoShow More⌵

Mol. Formula:
C23H22N4O2

M.W.:
386.46

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.82

Polar Surface Area:
66.71

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA5090345

Name:
N-(2-(4-fluoropiperidin-1-yl)ethyl)-12-oxo-12H-benzo[g]pyrido[2,1-b]quinazoShow More⌵

Mol. Formula:
C24H23FN4O2

M.W.:
418.47

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.16

Polar Surface Area:
66.71

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5089657

Name:
N-(2-(pyrrolidin-1-yl)ethyl)pyrido[2',1':2,3]imidazo[4,5-b]quinoline-10-carShow More⌵

Mol. Formula:
C21H21N5O

M.W.:
359.43

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.86

Polar Surface Area:
62.53

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA5089364

Name:
N-(2-(4,4-dihydroxypiperidin-1-yl)ethyl)-12-oxo-12H-benzo[g]pyrido[2,1-b]quShow More⌵

Mol. Formula:
C24H24N4O4

M.W.:
432.48

1 activity values

1 unique targets

Type:
Unknown

AlogP:
1.51

Polar Surface Area:
107.17

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA5088652

Name:
3-hydroxy-12-oxo-N-(2-(pyrrolidin-1-yl)ethyl)-12H-benzo[g]pyrido[2,1-b]quinShow More⌵

Mol. Formula:
C23H22N4O3

M.W.:
402.45

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.53

Polar Surface Area:
86.94

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA5088523

Name:
N-(2-(3,3-difluoropyrrolidin-1-yl)ethyl)-12-oxo-12H-benzo[g]pyrido[2,1-b]quShow More⌵

Mol. Formula:
C23H20F2N4O2

M.W.:
422.44

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.07

Polar Surface Area:
66.71

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA5088110

Name:
12-oxo-N-(piperidin-2-ylmethyl)-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carbShow More⌵

Mol. Formula:
C23H22N4O2

M.W.:
386.46

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.87

Polar Surface Area:
75.50

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA5087954

Name:
12-oxo-N-(2-thiomorpholinoethyl)-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carShow More⌵

Mol. Formula:
C23H22N4O2S

M.W.:
418.52

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.78

Polar Surface Area:
66.71

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5087593

Name:
13-oxo-N-(2-(pyrrolidin-1-yl)ethyl)-13H-benzo[f]pyrido[2,1-b]quinazoline-8-Show More⌵

Mol. Formula:
C23H22N4O2

M.W.:
386.46

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.83

Polar Surface Area:
66.71

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA5086969

Name:
N-(2-(4,4-difluoropiperidin-1-yl)ethyl)-12-oxo-12H-benzo[g]pyrido[2,1-b]quiShow More⌵

Mol. Formula:
C24H22F2N4O2

M.W.:
436.46

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.46

Polar Surface Area:
66.71

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA5085694

Name:
N-((1-isopropylpiperidin-2-yl)methyl)-12-oxo-12H-benzo[g]pyrido[2,1-b]quinaShow More⌵

Mol. Formula:
C26H28N4O2

M.W.:
428.54

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.99

Polar Surface Area:
66.71

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA5084657

Name:
2,3-dimethyl-11-oxo-N-(2-(pyrrolidin-1-yl)ethyl)-11H-pyrido[2,1-b]quinazoliShow More⌵

Mol. Formula:
C21H24N4O2

M.W.:
364.45

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.29

Polar Surface Area:
66.71

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA5083095

Name:
13-oxo-N-(2-(pyrrolidin-1-yl)ethyl)-13H-pyridazino[4,5-f]pyrido[2,1-b]quinaShow More⌵

Mol. Formula:
C21H20N6O2

M.W.:
388.43

1 activity values

1 unique targets

Type:
Unknown

AlogP:
1.62

Polar Surface Area:
92.49

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA5082214

Name:
N-(2-(4-cyanopiperidin-1-yl)ethyl)-12-oxo-12H-benzo[g]pyrido[2,1-b]quinazolShow More⌵

Mol. Formula:
C25H23N5O2

M.W.:
425.49

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.97

Polar Surface Area:
90.50

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.51

DETAILS