Compounds

Type:
---

AlogP:
6.05

Polar Surface Area:
130.24

HBA:
7

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

(7-(4-(3-Fluoro-5-methoxybenzoyl)-2,6-dimethylphenoxy)-4-hydroxy-1-methoxyisoquinoline-3-carbonyl)glycine

Name:
2-[[7-[4-(3-fluoro-5-methoxy-benzoyl)-2,6-dimethyl-phenoxy]-4-hydroxy-1-metShow More⌵

Mol. Formula:
C29H25FN2O8

M.W.:
548.52

47 activity values

19 unique targets

Type:
---

AlogP:
4.55

Polar Surface Area:
144.28

HBA:
8

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA5180073

Name:
2-(3-(2-(1-(6-chlorobenzo[d]thiazol-2-yl)piperidin-4-yl)ethoxy)-4-methylpheShow More⌵

Mol. Formula:
C23H25ClN2O3S

M.W.:
444.98

34 activity values

15 unique targets

Type:
---

AlogP:
5.57

Polar Surface Area:
62.66

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5173207

Name:

Mol. Formula:
C26H27F2N6NaO4

M.W.:
548.53

Type:
---

AlogP:
4.99

Polar Surface Area:
133.48

HBA:
8

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA5171766

Name:

Mol. Formula:
C28H29F2N4NaO4

M.W.:
546.55

Type:
---

AlogP:
6.65

Polar Surface Area:
117.35

HBA:
6

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA5170969

Name:

Mol. Formula:
C23H21F2N6NaO4

M.W.:
506.45

Type:
---

AlogP:
3.82

Polar Surface Area:
133.48

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA5170908

Name:

Mol. Formula:
C25H23F2N4NaO4

M.W.:
504.47

4 activity values

4 unique targets

Type:
---

AlogP:
5.48

Polar Surface Area:
117.35

HBA:
6

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA5092554

Name:
7-oxo-N-(3-(pyrrolidin-1-yl)propyl)-7H-benzo[h]pyrido[2,1-b]quinazoline-12-Show More⌵

Mol. Formula:
C24H24N4O2

M.W.:
400.48

Type:
Unknown

AlogP:
3.22

Polar Surface Area:
66.71

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA5091256

Name:
N-(2-(dimethylamino)ethyl)-7-oxo-7H-benzo[h]pyrido[2,1-b]quinazoline-12-carShow More⌵

Mol. Formula:
C21H20N4O2

M.W.:
360.42

Type:
Unknown

AlogP:
2.29

Polar Surface Area:
66.71

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA5091051

Name:
7-oxo-N-(2-(piperidin-1-yl)ethyl)-7H-benzo[h]pyrido[2,1-b]quinazoline-12-caShow More⌵

Mol. Formula:
C24H24N4O2

M.W.:
400.48

Type:
Unknown

AlogP:
3.22

Polar Surface Area:
66.71

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA5089702

Name:
N-(2-(4-methylpiperazin-1-yl)ethyl)-7-oxo-7H-benzo[h]pyrido[2,1-b]quinazoliShow More⌵

Mol. Formula:
C24H25N5O2

M.W.:
415.50

Type:
Unknown

AlogP:
1.98

Polar Surface Area:
69.95

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA5089676

Name:
(R)-N-(2-(3-fluoropyrrolidin-1-yl)ethyl)-7-oxo-7H-benzo[h]pyrido[2,1-b]quinShow More⌵

Mol. Formula:
C23H21FN4O2

M.W.:
404.45

Type:
Unknown

AlogP:
2.77

Polar Surface Area:
66.71

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA5087053

Name:
N-(1-methylpiperidin-4-yl)-7-oxo-7H-benzo[h]pyrido[2,1-b]quinazoline-12-carShow More⌵

Mol. Formula:
C23H22N4O2

M.W.:
386.46

Type:
Unknown

AlogP:
2.82

Polar Surface Area:
66.71

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA5082821

Name:
4-((4-((2,6-Difluoro-4-(pyridin-4-yl)phenyl)amino)-5-methylpyrimidin-2-yl)aShow More⌵

Mol. Formula:
C23H17BrF2N6

M.W.:
495.33

35 activity values

Type:
Unknown

AlogP:
5.48

Polar Surface Area:
86.52

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA5082744

Name:
(S)-N-(2-(3-fluoropyrrolidin-1-yl)ethyl)-7-oxo-7H-benzo[h]pyrido[2,1-b]quinShow More⌵

Mol. Formula:
C23H21FN4O2

M.W.:
404.45

Type:
Unknown

AlogP:
2.77

Polar Surface Area:
66.71

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA5081532

Name:
N-(3-(dimethylamino)propyl)-7-oxo-7H-benzo[h]pyrido[2,1-b]quinazoline-12-caShow More⌵

Mol. Formula:
C22H22N4O2

M.W.:
374.44

Type:
Unknown

AlogP:
2.68

Polar Surface Area:
66.71

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA5075517

Name:
N-(azetidin-3-yl)-7-oxo-7H-benzo[h]pyrido[2,1-b]quinazoline-12-carboxamide

Mol. Formula:
C20H16N4O2

M.W.:
344.37

Type:
Unknown

AlogP:
1.70

Polar Surface Area:
75.50

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA5074659

Name:
N-(2-(diethylamino)ethyl)-7-oxo-7H-benzo[h]pyrido[2,1-b]quinazoline-12-carbShow More⌵

Mol. Formula:
C23H24N4O2

M.W.:
388.47