Compounds

Type:
Small molecule

AlogP:
4.14

Polar Surface Area:
69.72

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA177707

Name:
[2-(8-Acetylamino-1,3-dioxo-1H,3H-dibenzo[de,h]isoquinolin-2-yl)-ethyl]-triShow More⌵

Mol. Formula:
C23H24N3O3+

M.W.:
390.46

Type:
Small molecule

AlogP:
3.25

Polar Surface Area:
66.48

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA177706

Name:
N-[2-(2-Dimethylamino-ethyl)-1,3-dioxo-2,3-dihydro-1H-dibenzo[de,h]isoquinoShow More⌵

Mol. Formula:
C22H21N3O3

M.W.:
375.43

10 activity values

5 unique targets

Type:
Small molecule

AlogP:
3.11

Polar Surface Area:
69.72

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA178220

Name:
[2-(6-Acetylamino-1,3-dioxo-1H,3H-dibenzo[de,h]isoquinolin-2-yl)-ethyl]-triShow More⌵

Mol. Formula:
C23H24N3O3+

M.W.:
390.46

Type:
Small molecule

AlogP:
3.25

Polar Surface Area:
66.48

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA178168

Name:
N-[2-(2-Dimethylamino-ethyl)-1,3-dioxo-2,3-dihydro-1H-dibenzo[de,h]isoquinoShow More⌵

Mol. Formula:
C22H21N3O3

M.W.:
375.43

10 activity values

5 unique targets

Type:
Small molecule

AlogP:
3.11

Polar Surface Area:
69.72

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA173888

Name:
5-Amino-2-(2-dimethylamino-ethyl)-dibenzo[de,h]isoquinoline-1,3-dione

Mol. Formula:
C20H19N3O2

M.W.:
333.39

Type:
Small molecule

AlogP:
2.73

Polar Surface Area:
66.64

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA174108

Name:
N-[2-(2-Dimethylamino-ethyl)-1,3-dioxo-2,3-dihydro-1H-dibenzo[de,h]isoquinoShow More⌵

Mol. Formula:
C22H21N3O3

M.W.:
375.43

Type:
Small molecule

AlogP:
3.11

Polar Surface Area:
69.72

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA175042

Name:
N-[2-(2-Dimethylamino-ethyl)-1,3-dioxo-2,3-dihydro-1H-benzo[de]anthracen-7-Show More⌵

Mol. Formula:
C23H22N2O3

M.W.:
374.44

Type:
Small molecule

AlogP:
3.90

Polar Surface Area:
66.48

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA174780

Name:
7-Amino-2-(2-dimethylamino-ethyl)-benzo[de]anthracene-1,3-dione

Mol. Formula:
C21H20N2O2

M.W.:
332.40

9 activity values

5 unique targets

Type:
Small molecule

AlogP:
3.52

Polar Surface Area:
63.40

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA422137

Name:
2-(2-Dimethylamino-ethyl)-10-methoxy-dibenzo[de,h]isoquinoline-1,3-dione

Mol. Formula:
C21H20N2O3

M.W.:
348.40

Type:
Small molecule

AlogP:
3.16

Polar Surface Area:
49.85

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA146037

Name:
4-Chloro-2-(2-dimethylamino-ethyl)-dibenzo[de,h]isoquinoline-1,3-dione

Mol. Formula:
C20H17ClN2O2

M.W.:
352.82

Type:
Small molecule

AlogP:
3.80

Polar Surface Area:
40.62

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA422843

Name:
2-(2-Dimethylamino-ethyl)-4-hydroxy-dibenzo[de,h]isoquinoline-1,3-dione

Mol. Formula:
C20H18N2O3

M.W.:
334.38

Type:
Small molecule

AlogP:
2.86

Polar Surface Area:
60.85

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA439812

Name:
2-(2-Dimethylamino-ethyl)-9-methoxy-dibenzo[de,h]isoquinoline-1,3-dione

Mol. Formula:
C21H20N2O3

M.W.:
348.40

Type:
Small molecule

AlogP:
3.16

Polar Surface Area:
49.85

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA356785

Name:
2-(2-Dimethylamino-ethyl)-10-methyl-dibenzo[de,h]isoquinoline-1,3-dione

Mol. Formula:
C21H20N2O2

M.W.:
332.40

Type:
Small molecule

AlogP:
3.46

Polar Surface Area:
40.62

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA147428

Name:
2-(2-Dimethylamino-ethyl)-10-phenyl-dibenzo[de,h]isoquinoline-1,3-dione

Mol. Formula:
C26H22N2O2

M.W.:
394.47

14 activity values

7 unique targets

Type:
Small molecule

AlogP:
4.82

Polar Surface Area:
40.62

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA147372

Name:
2-(2-Dimethylamino-ethyl)-1,3-dioxo-2,3-dihydro-1H-dibenzo[de,h]isoquinolinShow More⌵

Mol. Formula:
C21H17N3O2

M.W.:
343.39

Type:
Small molecule

AlogP:
3.02

Polar Surface Area:
64.41

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA149293

Name:
2-(2-Dimethylamino-ethyl)-8-methoxy-dibenzo[de,h]isoquinoline-1,3-dione

Mol. Formula:
C21H20N2O3

M.W.:
348.40

Type:
Small molecule

AlogP:
3.16

Polar Surface Area:
49.85

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA146559

Name:
2-(2-Dimethylamino-ethyl)-8-hydroxy-dibenzo[de,h]isoquinoline-1,3-dione

Mol. Formula:
C20H18N2O3

M.W.:
334.38

Type:
Small molecule

AlogP:
2.86

Polar Surface Area:
60.85

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA344310

Name:
8-Chloro-2-(2-dimethylamino-ethyl)-dibenzo[de,h]isoquinoline-1,3-dione

Mol. Formula:
C20H17ClN2O2

M.W.:
352.82

15 activity values

Type:
Small molecule

AlogP:
3.80

Polar Surface Area:
40.62

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA343852

Name:
2-(2-Dimethylamino-ethyl)-4-(2-dimethylamino-ethylamino)-dibenzo[de,h]isoquShow More⌵

Mol. Formula:
C24H28N4O2

M.W.:
404.51