Compounds

ALA4638742

Name:
N-[2-[[N'-cyano-N-[3-[3-(1-piperidylmethyl)phenoxy]propyl]carbamimidoyl]amiShow More⌵

Mol. Formula:
C27H37N7O2

M.W.:
491.64

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.93

Polar Surface Area:
113.81

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA3228814

Name:
1-(2-(dimethylamino)-2-methylpropyl)-5,7-dimethyl-1,8-naphthyridin-2(1H)-onShow More⌵

Mol. Formula:
C16H23N3O

M.W.:
273.38

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.35

Polar Surface Area:
38.13

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA3228812

Name:
1-(3-(dimethylamino)propyl)-5,7-dimethyl-1,8-naphthyridin-2(1H)-one

Mol. Formula:
C15H21N3O

M.W.:
259.35

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.97

Polar Surface Area:
38.13

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA3228808

Name:
1-(2-(dibutylamino)ethyl)-5,7-dimethyl-1,8-naphthyridin-2(1H)-one

Mol. Formula:
C20H31N3O

M.W.:
329.49

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.92

Polar Surface Area:
38.13

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA3228807

Name:
5,7-dimethyl-1-(2-(piperidin-1-yl)ethyl)-1,8-naphthyridin-2(1H)-one

Mol. Formula:
C17H23N3O

M.W.:
285.39

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.50

Polar Surface Area:
38.13

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA3228806

Name:
1-(2-(diethylamino)ethyl)-5,7-dimethyl-1,8-naphthyridin-2(1H)-one

Mol. Formula:
C16H23N3O

M.W.:
273.38

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.36

Polar Surface Area:
38.13

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA3228805

Name:
5,7-dimethyl-1-(2-(methylamino)ethyl)-1,8-naphthyridin-2(1H)-one

Mol. Formula:
C13H17N3O

M.W.:
231.30

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.23

Polar Surface Area:
46.92

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA3228802

Name:
1-(2-(dimethylamino)ethyl)-5,6,7-trimethyl-1,8-naphthyridin-2(1H)-one

Mol. Formula:
C15H21N3O

M.W.:
259.35

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.88

Polar Surface Area:
38.13

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA3228801

Name:
7-chloro-1-(2-(dimethylamino)ethyl)-5-methyl-1,8-naphthyridin-2(1H)-one

Mol. Formula:
C13H16ClN3O

M.W.:
265.74

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.92

Polar Surface Area:
38.13

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA3228800

Name:
1-(2-(dimethylamino)ethyl)-7-methoxy-5-methyl-1,8-naphthyridin-2(1H)-one

Mol. Formula:
C14H19N3O2

M.W.:
261.32

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.28

Polar Surface Area:
47.36

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA3228799

Name:
1-(2-(dimethylamino)ethyl)-5-methyl-7-(trifluoromethyl)-1,8-naphthyridin-2(Show More⌵

Mol. Formula:
C14H16F3N3O

M.W.:
299.30

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.29

Polar Surface Area:
38.13

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA3228798

Name:
1-(2-(dimethylamino)ethyl)-7-methyl-5-(trifluoromethyl)-1,8-naphthyridin-2(Show More⌵

Mol. Formula:
C14H16F3N3O

M.W.:
299.30

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.29

Polar Surface Area:
38.13

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA3228797

Name:
1-(2-(dimethylamino)ethyl)-5,7-bis(trifluoromethyl)-1,8-naphthyridin-2(1H)-Show More⌵

Mol. Formula:
C14H13F6N3O

M.W.:
353.27

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.00

Polar Surface Area:
38.13

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA3228796

Name:
1-(2-(dimethylamino)ethyl)-5,7-diethyl-1,8-naphthyridin-2(1H)-one

Mol. Formula:
C16H23N3O

M.W.:
273.38

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.08

Polar Surface Area:
38.13

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA3228794

Name:
1-(2-(dimethylamino)ethyl)-7-isobutyl-1,8-naphthyridin-2(1H)-one

Mol. Formula:
C16H23N3O

M.W.:
273.38

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.16

Polar Surface Area:
38.13

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA3228793

Name:
1-(2-(dimethylamino)ethyl)-7-isopropyl-1,8-naphthyridin-2(1H)-one

Mol. Formula:
C15H21N3O

M.W.:
259.35

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.08

Polar Surface Area:
38.13

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA3228792

Name:
1-(2-(dimethylamino)ethyl)-7-ethyl-1,8-naphthyridin-2(1H)-one

Mol. Formula:
C14H19N3O

M.W.:
245.33

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.52

Polar Surface Area:
38.13

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA3228791

Name:
1-(2-(dimethylamino)ethyl)-7-methyl-1,8-naphthyridin-2(1H)-one

Mol. Formula:
C13H17N3O

M.W.:
231.30

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.27

Polar Surface Area:
38.13

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA3228790

Name:
1-(2-(dimethylamino)ethyl)-6-methyl-1,8-naphthyridin-2(1H)-one

Mol. Formula:
C13H17N3O

M.W.:
231.30

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.27

Polar Surface Area:
38.13

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA3228789

Name:
1-(2-(dimethylamino)ethyl)-5-methyl-1,8-naphthyridin-2(1H)-one

Mol. Formula:
C13H17N3O

M.W.:
231.30

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.27

Polar Surface Area:
38.13

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.80

DETAILS