Compounds

Type:
Unknown

AlogP:
3.69

Polar Surface Area:
54.38

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4760936

Name:
2-((4-(2-(dimethylamino)ethyl)piperazin-1-yl)methyl)-4-((7-methoxyquinolin-Show More⌵

Mol. Formula:
C25H33N5O2

M.W.:
435.57

Type:
Unknown

AlogP:
3.37

Polar Surface Area:
64.10

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4759960

Name:
6-Chloro-9-((4-hydroxy-3-((4-methylpiperazin-1-yl)methyl)phenyl)amino)acridShow More⌵

Mol. Formula:
C25H25ClN4O2

M.W.:
448.95

Type:
Unknown

AlogP:
4.94

Polar Surface Area:
71.86

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4759590

Name:
6-Chloro-9-((3-((4-(2-(dimethylamino)ethyl)piperazin-1-yl)methyl)-4-hydroxyShow More⌵

Mol. Formula:
C28H32ClN5O2

M.W.:
506.05

9 activity values

3 unique targets

Type:
Unknown

AlogP:
4.88

Polar Surface Area:
75.10

HBA:
7

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA4752956

Name:
2-((6-Chloro-2-hydroxyacridin-9-yl)amino)-4,5-dimethoxybenzonitrile

Mol. Formula:
C22H16ClN3O3

M.W.:
405.84

Type:
Unknown

AlogP:
5.38

Polar Surface Area:
87.40

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA4750955

Name:
6,9-Dichloroacridin-2-ol

Mol. Formula:
C13H7Cl2NO

M.W.:
264.11

Type:
Unknown

AlogP:
4.40

Polar Surface Area:
33.12

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4747685

Name:
2-((dimethylamino)methyl)-4-(7-methoxyquinolin-4-ylamino)phenol dihydrochloShow More⌵

Mol. Formula:
C19H23Cl2N3O2

M.W.:
396.32

Type:
Unknown

AlogP:
3.75

Polar Surface Area:
57.62

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4744800

Name:
4-Amino-2-((4-methylpiperazin-1-yl)methyl)phenol

Mol. Formula:
C12H19N3O

M.W.:
221.30

Type:
Unknown

AlogP:
0.72

Polar Surface Area:
52.73

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4593565

Name:
4-((6-Chloro-2-methoxyacridin-9-yl)amino)-2-((4-(3-methylbenzyl)piperazin-1Show More⌵

Mol. Formula:
C33H33ClN4O2

M.W.:
553.11

Type:
Unknown

AlogP:
7.13

Polar Surface Area:
60.86

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA4543745

Name:
4-((6-Chloro-2-methoxyacridin-9-yl)amino)-2-((4-cyclohexylpiperazin-1-yl)meShow More⌵

Mol. Formula:
C31H35ClN4O2

M.W.:
531.10

Type:
Unknown

AlogP:
6.95

Polar Surface Area:
60.86

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA4473229

Name:
4-((6-Chloro-2-methoxyacridin-9-yl)amino)-2-((4-(3,4-dichlorophenyl)piperazShow More⌵

Mol. Formula:
C31H27Cl3N4O2

M.W.:
593.94

Type:
Unknown

AlogP:
8.13

Polar Surface Area:
60.86

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA4470176

Name:
4-((6-Chloro-2-methoxyacridin-9-yl)amino)-2-((4-(2-(dimethylamino)ethyl)pipShow More⌵

Mol. Formula:
C29H34ClN5O2

M.W.:
520.08

25 activity values

11 unique targets

Type:
Unknown

AlogP:
5.18

Polar Surface Area:
64.10

HBA:
7

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA3617291

Name:
5-hydroxy-N-isopentyl-2-(1-methylpiperidin-4-yl)-6-oxo-1,6-dihydropyrimidinShow More⌵

Mol. Formula:
C16H26N4O3

M.W.:
322.41

Type:
Small molecule

AlogP:
1.06

Polar Surface Area:
98.32

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA3617290

Name:
5-hydroxy-N-isopentyl-2-(1-methylpiperidin-3-yl)-6-oxo-1,6-dihydropyrimidinShow More⌵

Mol. Formula:
C16H26N4O3

M.W.:
322.41

Type:
Small molecule

AlogP:
1.06

Polar Surface Area:
98.32

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA3617289

Name:
5-hydroxy-N-isopentyl-2-(1-methylpiperidin-2-yl)-6-oxo-1,6-dihydropyrimidinShow More⌵

Mol. Formula:
C16H26N4O3

M.W.:
322.41

Type:
Small molecule

AlogP:
1.41

Polar Surface Area:
98.32

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA3617288

Name:
5-hydroxy-N-isopentyl-6-oxo-2-(piperidin-2-yl)-1,6-dihydropyrimidine-4-carbShow More⌵

Mol. Formula:
C15H24N4O3

M.W.:
308.38

Type:
Small molecule

AlogP:
1.07

Polar Surface Area:
107.11

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA3617287

Name:
2-(4-((dimethylamino)methyl)phenyl)-5-hydroxy-N-isopentyl-6-oxo-1,6-dihydroShow More⌵

Mol. Formula:
C19H26N4O3

M.W.:
358.44

Type:
Small molecule

AlogP:
1.98

Polar Surface Area:
98.32

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA3617286

Name:
5-hydroxy-N-isopentyl-2-(4-(morpholinomethyl)phenyl)-6-oxo-1,6-dihydropyrimShow More⌵

Mol. Formula:
C21H28N4O4

M.W.:
400.48