Compounds

Type:
Unknown

AlogP:
6.75

Polar Surface Area:
69.81

HBA:
4

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA5091959

Name:
6-(3-(6-chloro-1,2,3,4-tetrahydroacridin-9-ylamino)propylamino)-5,6,7,8-tetShow More⌵

Mol. Formula:
C25H29ClN4O

M.W.:
436.99

35 activity values

9 unique targets

Type:
Unknown

AlogP:
4.40

Polar Surface Area:
69.81

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA5089868

Name:
6-(2-(6-chloro-1,2,3,4-tetrahydroacridin-9-ylamino)ethylamino)-5,6,7,8-tetrShow More⌵

Mol. Formula:
C24H27ClN4O

M.W.:
422.96

Type:
Unknown

AlogP:
4.01

Polar Surface Area:
69.81

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA5089279

Name:
6-(4-(6-chloro-1,2,3,4-tetrahydroacridin-9-ylamino)butylamino)-5,6,7,8-tetrShow More⌵

Mol. Formula:
C26H31ClN4O

M.W.:
451.01

Type:
Unknown

AlogP:
4.79

Polar Surface Area:
69.81

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA5087842

Name:
6-(5-(6-chloro-1,2,3,4-tetrahydroacridin-9-ylamino)pentylamino)-5,6,7,8-tetShow More⌵

Mol. Formula:
C27H33ClN4O

M.W.:
465.04

Type:
Unknown

AlogP:
5.18

Polar Surface Area:
69.81

HBA:
4

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA5085880

Name:
6-(8-(6-chloro-1,2,3,4-tetrahydroacridin-9-ylamino)octylamino)-5,6,7,8-tetrShow More⌵

Mol. Formula:
C30H39ClN4O

M.W.:
507.12

Type:
Unknown

AlogP:
6.35

Polar Surface Area:
69.81

HBA:
4

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA5084158

Name:
6-(7-(6-chloro-1,2,3,4-tetrahydroacridin-9-ylamino)heptylamino)-5,6,7,8-tetShow More⌵

Mol. Formula:
C29H37ClN4O

M.W.:
493.10

Type:
Unknown

AlogP:
5.96

Polar Surface Area:
69.81

HBA:
4

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA5084050

Name:
6-(6-(6-chloro-1,2,3,4-tetrahydroacridin-9-ylamino)hexylamino)-5,6,7,8-tetrShow More⌵

Mol. Formula:
C28H35ClN4O

M.W.:
479.07

Type:
Unknown

AlogP:
5.57

Polar Surface Area:
69.81

HBA:
4

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA5081945

Name:
6-(10-(6-chloro-1,2,3,4-tetrahydroacridin-9-ylamino)decylamino)-5,6,7,8-tetShow More⌵

Mol. Formula:
C32H43ClN4O

M.W.:
535.18

Type:
Unknown

AlogP:
7.14

Polar Surface Area:
69.81

HBA:
4

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA4105611

Name:
N-((1-benzylpiperidin-3-yl)methyl)-N-(2-methoxyethyl)naphthalene-2-sulfonamShow More⌵

Mol. Formula:
C26H32N2O3S

M.W.:
452.62

8 activity values

Type:
Small molecule

AlogP:
4.39

Polar Surface Area:
49.85

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA2058977

Name:
(+/-)-3a-Allyl-1,8-dimethyl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-5-ylShow More⌵

Mol. Formula:
C25H31N3O2

M.W.:
405.54

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.35

Polar Surface Area:
44.81

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA2058976

Name:
(+/-)-3a-Allyl-1,8-dimethyl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-5-ylShow More⌵

Mol. Formula:
C22H25N3O2

M.W.:
363.46

5 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.22

Polar Surface Area:
44.81

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA472969

Name:
5,6-Dimethoxy-2-{3-[(piperidin-1-yl)methyl]-benzyl}-benzofuran-3(2H)-one

Mol. Formula:
C23H27NO4

M.W.:
381.47

Type:
Small molecule

AlogP:
3.88

Polar Surface Area:
48.00

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA515394

Name:
5,6-Dimethoxy-2-{4-[(piperidin-1-yl)methyl]-benzyl}-2,3-dihydroinden-1-one

Mol. Formula:
C24H29NO3

M.W.:
379.50

6 activity values

Type:
Small molecule

AlogP:
4.29

Polar Surface Area:
38.77

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA472776

Name:
5,6-Dimethoxy-2-{3-[(piperidin-1-yl)methyl]-benzylidene}-2,3-dihydroinden-1Show More⌵

Mol. Formula:
C24H29NO3

M.W.:
379.50

6 activity values

Type:
Small molecule

AlogP:
4.29

Polar Surface Area:
38.77

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA515241

Name:
5,6-Dimethoxy-2-{4-[(pyrrolidin-1-yl)methyl] benzyl}-benzofuran-3(2H)-one

Mol. Formula:
C22H25NO4

M.W.:
367.45

Type:
Small molecule

AlogP:
3.49

Polar Surface Area:
48.00

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA515263

Name:
5,6-Dimethoxy-2-{3-[(pyrrolidin-1-yl)methyl]-benzyl}-benzofuran-3(2H)-one

Mol. Formula:
C22H25NO4

M.W.:
367.45

Type:
Small molecule

AlogP:
3.49

Polar Surface Area:
48.00

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA473962

Name:
5,6-Dimethoxy-2-{4-[(pyrrolidin-1-yl)methyl]-benzyl}-2,3-dihydroinden-1-one

Mol. Formula:
C23H27NO3

M.W.:
365.47

6 activity values