Compounds

ALA3706601

Name:
9-Oxo-4a,9,9a,10-tetrahydro-acridine-4-carboxylic acid (4-{2-[methyl-(4-triShow More⌵

Mol. Formula:
C31H26F3N3O3

M.W.:
545.56

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
6.46

Polar Surface Area:
74.43

HBA:
4

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA3706600

Name:
9-Oxo-4a,9,9a,10-tetrahydro-acridine-4-carboxylic acid {4-[3-(6,7-dimethoxyShow More⌵

Mol. Formula:
C34H33N3O5

M.W.:
563.65

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.78

Polar Surface Area:
92.89

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA3706599

Name:
9-Oxo-4a,9,9a,10-tetrahydro-acridine-4-carboxylic acid {4-[3-(3,4-dimethoxyShow More⌵

Mol. Formula:
C32H31N3O5

M.W.:
537.62

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.51

Polar Surface Area:
101.68

HBA:
6

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA3706598

Name:
9-Oxo-4a,9,9a,10-tetrahydro-acridine-4-carboxylic acid (4-{2-[(2-methoxy-beShow More⌵

Mol. Formula:
C31H29N3O4

M.W.:
507.59

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.45

Polar Surface Area:
83.66

HBA:
5

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA3706597

Name:
9-Oxo-4a,9,9a,10-tetrahydro-acridine-4-carboxylic acid (4-{2-[methyl-(4-metShow More⌵

Mol. Formula:
C31H29N3O3

M.W.:
491.59

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.75

Polar Surface Area:
74.43

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA3706596

Name:
9-Oxo-4a,9,9a,10-tetrahydro-acridine-4-carboxylic acid {4-[2-(benzyl-methylShow More⌵

Mol. Formula:
C30H27N3O3

M.W.:
477.56

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.44

Polar Surface Area:
74.43

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA3706595

Name:
10,10a-Dihydro-4aH-phenothiazine-1-carboxylic acid [4-(2-{[2-(3,4-dimethoxyShow More⌵

Mol. Formula:
C32H33N3O4S

M.W.:
555.70

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
6.72

Polar Surface Area:
72.06

HBA:
7

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA3706594

Name:
9-Oxo-4a,9,9a,10-tetrahydro-acridine-4-carboxylic acid (4-{2-[(4-methoxy-beShow More⌵

Mol. Formula:
C31H29N3O4

M.W.:
507.59

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.45

Polar Surface Area:
83.66

HBA:
5

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA3706593

Name:
9-Oxo-4a,9,9a,10-tetrahydro-acridine-4-carboxylic acid {4-[2-(benzo[1,3]dioShow More⌵

Mol. Formula:
C31H27N3O5

M.W.:
521.57

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.17

Polar Surface Area:
92.89

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA3706592

Name:
9,10-Dioxo-4a,9,9a,10-tetrahydro-anthracene-1-carboxylic acid [4-(2-{[2-(3,Show More⌵

Mol. Formula:
C34H32N2O6

M.W.:
564.64

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.28

Polar Surface Area:
94.17

HBA:
7

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA3706591

Name:
9-Oxo-4a,9,9a,10-tetrahydro-acridine-4-carboxylic acid [4-(2-diethylamino-eShow More⌵

Mol. Formula:
C26H27N3O3

M.W.:
429.52

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.65

Polar Surface Area:
74.43

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA3706590

Name:
9-Oxo-4a,9,9a,10-tetrahydro-acridine-4-carboxylic acid (4-{2-[(4-fluoro-benShow More⌵

Mol. Formula:
C30H26FN3O3

M.W.:
495.55

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.58

Polar Surface Area:
74.43

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA3706589

Name:
9-Oxo-4a,9,9a,10-tetrahydro-acridine-4-carboxylic acid {4-[3-(3,4-dihydro-1Show More⌵

Mol. Formula:
C32H29N3O3

M.W.:
503.60

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.76

Polar Surface Area:
74.43

HBA:
4

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA3706588

Name:
4a,10a-Dihydro-dibenzo[1,4]dioxine-1-carboxylic acid [4-(2-{[2-(3,4-dimethoShow More⌵

Mol. Formula:
C32H32N2O6

M.W.:
540.62

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
6.41

Polar Surface Area:
78.49

HBA:
7

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA3706587

Name:
9-Oxo-4a,9,9a,10-tetrahydro-acridine-4-carboxylic acid {4-[2-(benzyl-ethyl-Show More⌵

Mol. Formula:
C31H29N3O3

M.W.:
491.59

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.83

Polar Surface Area:
74.43

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA3085573

Name:
17-Acetyl-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-3-one (3,20Show More⌵

Mol. Formula:
C21H32O2

M.W.:
316.49

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.80

Polar Surface Area:
34.14

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA543357

Name:
9-Chloro-acridine-4-carboxylic acid [4-(2-{[2-(3,4-dimethoxy-phenyl)-ethyl]Show More⌵

Mol. Formula:
C33H33Cl2N3O4

M.W.:
606.55

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
6.86

Polar Surface Area:
72.92

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA546783

Name:
9-Oxo-4a,9,9a,10-tetrahydro-acridine-4-carboxylic acid [4-(3-{[2-(3,4-dimetShow More⌵

Mol. Formula:
C34H35N3O5

M.W.:
565.67

10 activity values

7 unique targets

Type:
Small molecule

AlogP:
5.89

Polar Surface Area:
92.89

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA532012

Name:
4-Oxo-2-phenyl-1,4,4a,8a-tetrahydro-quinoline-8-carboxylic acid (4-{2-[(3,4Show More⌵

Mol. Formula:
C34H33N3O5

M.W.:
563.65

10 activity values

7 unique targets

Type:
Small molecule

AlogP:
5.98

Polar Surface Area:
92.89

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

Elacridar

Name:
5-Methoxy-9-oxo-9,10-dihydro-acridine-4-carboxylic acid {4-[2-(6,7-dimethoxShow More⌵

Mol. Formula:
C34H33N3O5

M.W.:
563.65

140 activity values

23 unique targets

Type:
Small molecule

AlogP:
5.56

Polar Surface Area:
92.89

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.24

DETAILS