Compounds

ALA4582525

Name:
4-(9,10-dioxo-9,10-dihydroanthracen-1-yl)benzoic acid

Mol. Formula:
C21H12O4

M.W.:
328.32

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.83

Polar Surface Area:
71.44

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4566112

Name:
tert-butyl 4-(4-(10-hydroxy-9-oxo-10-(trifluoromethyl)-9,10-dihydroanthraceShow More⌵

Mol. Formula:
C28H28F3N3O4

M.W.:
527.54

1 activity values

1 unique targets

Type:
Unknown

AlogP:
5.46

Polar Surface Area:
84.66

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4566037

Name:
1-(1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazol-4-yl)anthracene-9,10-dione

Mol. Formula:
C22H18N2O3

M.W.:
358.40

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.02

Polar Surface Area:
61.19

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4535655

Name:
1-(pyridin-3-yl)anthracene-9,10-dione

Mol. Formula:
C19H11NO2

M.W.:
285.30

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.52

Polar Surface Area:
47.03

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4526179

Name:
benzyl 4-(10-hydroxy-9-oxo-10-(trifluoromethyl)-9,10-dihydroanthracen-1-yl)Show More⌵

Mol. Formula:
C28H22F3NO4

M.W.:
493.48

1 activity values

1 unique targets

Type:
Unknown

AlogP:
5.46

Polar Surface Area:
66.84

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4517479

Name:
1-(4-hydroxyphenyl)anthracene-9,10-dione

Mol. Formula:
C20H12O3

M.W.:
300.31

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.83

Polar Surface Area:
54.37

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4517062

Name:
tert-butyl 4-(10-hydroxy-9-oxo-10-(trifluoromethyl)-9,10-dihydroanthracen-1Show More⌵

Mol. Formula:
C25H24F3NO4

M.W.:
459.46

1 activity values

1 unique targets

Type:
Unknown

AlogP:
5.05

Polar Surface Area:
66.84

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4513572

Name:
benzyl 4-(9,10-dioxo-9,10-dihydroanthracen-1-yl)-3,6-dihydropyridine-1(2H)-Show More⌵

Mol. Formula:
C27H21NO4

M.W.:
423.47

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.89

Polar Surface Area:
63.68

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4476749

Name:
ethyl 2-(4-(10-hydroxy-9-oxo-10-(trifluoromethyl)-9,10-dihydroanthracen-1-yShow More⌵

Mol. Formula:
C23H19F3N2O4

M.W.:
444.41

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.02

Polar Surface Area:
81.42

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4476321

Name:
2-(4-(9,10-dioxo-9,10-dihydroanthracen-1-yl)-1H-pyrazol-1-yl)propanoic acid

Mol. Formula:
C20H14N2O4

M.W.:
346.34

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.97

Polar Surface Area:
89.26

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4475200

Name:
Tert-butyl 4-(9,10-dioxo-9,10-dihydroanthracen-1-yl)-3,6-dihydropyridine-1(Show More⌵

Mol. Formula:
C24H23NO4

M.W.:
389.45

2 activity values

1 unique targets

Type:
Unknown

AlogP:
4.49

Polar Surface Area:
63.68

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4472088

Name:
1-(1-(methylsulfonyl)-1,2,3,6-tetrahydropyridin-4-yl)anthracene-9,10-dione

Mol. Formula:
C20H17NO4S

M.W.:
367.43

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.51

Polar Surface Area:
71.52

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4467209

Name:
10-hydroxy-1-(1-(piperidin-4-yl)-1H-pyrazol-4-yl)-10-(trifluoromethyl)anthrShow More⌵

Mol. Formula:
C23H21ClF3N3O2

M.W.:
463.89

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.82

Polar Surface Area:
67.15

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4457061

Name:
1-(1,2,3,6-tetrahydropyridin-4-yl)anthracene-9,10-dione hydrochloride

Mol. Formula:
C19H16ClNO2

M.W.:
325.80

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.84

Polar Surface Area:
46.17

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.75

DETAILS

ALA4455451

Name:
1-(1H-pyrazol-4-yl)anthracene-9,10-dione hydrochloride

Mol. Formula:
C17H11ClN2O2

M.W.:
310.74

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.85

Polar Surface Area:
62.82

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4446071

Name:
10-hydroxy-1-(1,2,3,6-tetrahydropyridin-4-yl)-10-(trifluoromethyl)anthracenShow More⌵

Mol. Formula:
C20H17ClF3NO2

M.W.:
395.81

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.41

Polar Surface Area:
49.33

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA4442031

Name:
ethyl 2-(4-(9,10-dioxo-9,10-dihydroanthracen-1-yl)-1H-pyrazol-1-yl)propanoaShow More⌵

Mol. Formula:
C22H18N2O4

M.W.:
374.40

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.45

Polar Surface Area:
78.26

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4441364

Name:
tert-butyl 4-(4-(9,10-dioxo-9,10-dihydroanthracen-1-yl)-1H-pyrazol-1-yl)pipShow More⌵

Mol. Formula:
C27H27N3O4

M.W.:
457.53

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.90

Polar Surface Area:
81.50

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4439097

Name:
2-(4-(10-hydroxy-9-oxo-10-(trifluoromethyl)-9,10-dihydroanthracen-1-yl)-1H-Show More⌵

Mol. Formula:
C21H15F3N2O4

M.W.:
416.36

2 activity values

1 unique targets

Type:
Unknown

AlogP:
3.54

Polar Surface Area:
92.42

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

1-Bromoanthraquinone

Name:
1-bromoanthracene-9,10-dione

Mol. Formula:
C14H7BrO2

M.W.:
287.11

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.22

Polar Surface Area:
34.14

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.64

DETAILS