Compounds

ALA4879320

Name:
2,10-dimethoxy-6-(4-nitrobenzyl)-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolShow More⌵

Mol. Formula:
C25H24N2O6

M.W.:
448.48

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.35

Polar Surface Area:
105.30

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA4879312

Name:
(1,9-dihydroxy-2,10-dimethoxy-6a,7-dihydro-4H-dibenzo[de,g]quinolin-6(5H)-yShow More⌵

Mol. Formula:
C26H25NO6

M.W.:
447.49

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.09

Polar Surface Area:
88.46

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA4877840

Name:
(1,9-dihydroxy-2,10-dimethoxy-6a,7-dihydro-4H-dibenzo[de,g]quinolin-6(5H)-yShow More⌵

Mol. Formula:
C28H29NO8

M.W.:
507.54

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.10

Polar Surface Area:
106.92

HBA:
8

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4877530

Name:
(1,9-dihydroxy-2,10-dimethoxy-6a,7-dihydro-4H-dibenzo[de,g]quinolin-6(5H)-yShow More⌵

Mol. Formula:
C27H27NO7

M.W.:
477.51

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.09

Polar Surface Area:
97.69

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4876066

Name:
2,10-dimethoxy-6-(3-methoxybenzyl)-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinShow More⌵

Mol. Formula:
C26H27NO5

M.W.:
433.50

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.45

Polar Surface Area:
71.39

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4874294

Name:
4-((1,9-dihydroxy-2,10-dimethoxy-6a,7-dihydro-4H-dibenzo[de,g]quinolin-6(5HShow More⌵

Mol. Formula:
C26H24N2O4

M.W.:
428.49

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.31

Polar Surface Area:
85.95

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4873087

Name:
6-benzyl-2,10-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-1,9-dShow More⌵

Mol. Formula:
C25H25NO4

M.W.:
403.48

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.44

Polar Surface Area:
62.16

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4869013

Name:
6-(3,5-dimethoxybenzyl)-2,10-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]Show More⌵

Mol. Formula:
C27H29NO6

M.W.:
463.53

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.45

Polar Surface Area:
80.62

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4865915

Name:
6-(3,5-dimethylbenzyl)-2,10-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]qShow More⌵

Mol. Formula:
C27H29NO4

M.W.:
431.53

1 activity values

1 unique targets

Type:
Unknown

AlogP:
5.05

Polar Surface Area:
62.16

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4865612

Name:
6-(4-bromobenzyl)-2,10-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolShow More⌵

Mol. Formula:
C25H24BrNO4

M.W.:
482.37

1 activity values

1 unique targets

Type:
Unknown

AlogP:
5.20

Polar Surface Area:
62.16

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4864844

Name:
(1,9-dihydroxy-2,10-dimethoxy-6a,7-dihydro-4H-dibenzo[de,g]quinolin-6(5H)-yShow More⌵

Mol. Formula:
C25H22FNO5

M.W.:
435.45

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.22

Polar Surface Area:
79.23

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4863354

Name:
(4-chlorophenyl)(1,9-dihydroxy-2,10-dimethoxy-6a,7-dihydro-4H-dibenzo[de,g]Show More⌵

Mol. Formula:
C25H22ClNO5

M.W.:
451.91

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.73

Polar Surface Area:
79.23

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4862309

Name:
(1,9-dihydroxy-2,10-dimethoxy-6a,7-dihydro-4H-dibenzo[de,g]quinolin-6(5H)-yShow More⌵

Mol. Formula:
C25H22N2O7

M.W.:
462.46

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.99

Polar Surface Area:
122.37

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA4861106

Name:
2,10-dimethoxy-6-(4-methylbenzyl)-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoShow More⌵

Mol. Formula:
C26H27NO4

M.W.:
417.51

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.75

Polar Surface Area:
62.16

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4853416

Name:
(1,9-dihydroxy-2,10-dimethoxy-6a,7-dihydro-4H-dibenzo[de,g]quinolin-6(5H)-yShow More⌵

Mol. Formula:
C25H23NO5

M.W.:
417.46

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.08

Polar Surface Area:
79.23

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4852277

Name:
(1,9-dihydroxy-2,10-dimethoxy-6a,7-dihydro-4H-dibenzo[de,g]quinolin-6(5H)-yShow More⌵

Mol. Formula:
C27H27NO5

M.W.:
445.52

21 activity values

3 unique targets

Type:
Unknown

AlogP:
4.69

Polar Surface Area:
79.23

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4851736

Name:
6-(4-fluorobenzyl)-2,10-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoShow More⌵

Mol. Formula:
C25H24FNO4

M.W.:
421.47

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.58

Polar Surface Area:
62.16

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4850842

Name:
(4-bromophenyl)(1,9-dihydroxy-2,10-dimethoxy-6a,7-dihydro-4H-dibenzo[de,g]qShow More⌵

Mol. Formula:
C25H22BrNO5

M.W.:
496.36

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.84

Polar Surface Area:
79.23

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4849741

Name:
6-(4-chlorobenzyl)-2,10-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoShow More⌵

Mol. Formula:
C25H24ClNO4

M.W.:
437.92

3 activity values

2 unique targets

Type:
Unknown

AlogP:
5.09

Polar Surface Area:
62.16

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4849175

Name:
(1,9-dihydroxy-2,10-dimethoxy-6a,7-dihydro-4H-dibenzo[de,g]quinolin-6(5H)-yShow More⌵

Mol. Formula:
C26H25NO5

M.W.:
431.49

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.39

Polar Surface Area:
79.23

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.64

DETAILS