Compounds

Type:
Unknown

AlogP:
2.75

Polar Surface Area:
85.99

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4543699

Name:
6,8-dichloro-11H-indeno[2,1-b]quinoxalin-11-one

Mol. Formula:
C15H6Cl2N2O

M.W.:
301.13

Type:
Unknown

AlogP:
4.15

Polar Surface Area:
42.85

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4537364

Name:
10H-indeno[1,2-b]pyrido[3,4-e]pyrazin-10-one

Mol. Formula:
C14H7N3O

M.W.:
233.23

Type:
Unknown

AlogP:
2.24

Polar Surface Area:
55.74

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4514668

Name:
7-chloro-11H-indeno[2,1-b]quinoxalin-11-one

Mol. Formula:
C15H7ClN2O

M.W.:
266.69

Type:
Unknown

AlogP:
3.49

Polar Surface Area:
42.85

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4473014

Name:
7-ethoxy-11H-indeno[2,1-b]quinoxalin-11-one

Mol. Formula:
C17H12N2O2

M.W.:
276.30

Type:
Unknown

AlogP:
3.24

Polar Surface Area:
52.08

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4466175

Name:
11-oxo-11H-indeno[2,1-b]quinoxaline-8-carboxylic acid

Mol. Formula:
C16H8N2O3

M.W.:
276.25

Type:
Unknown

AlogP:
2.54

Polar Surface Area:
80.15

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4447281

Name:
7,8-dimethyl-11H-indeno[2,1-b]quinoxalin-11-one

Mol. Formula:
C17H12N2O

M.W.:
260.30

6 activity values

4 unique targets

Type:
Unknown

AlogP:
3.46

Polar Surface Area:
42.85

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA3894792

Name:
1,3-benzothiazol-2-yl(2-{[(piperdin-1-ylmethyl)benzyl]oxy}pyrimidin-4-yl)acShow More⌵

Mol. Formula:
C26H25N5OS

M.W.:
455.59

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.35

Polar Surface Area:
74.93

HBA:
7

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

Bentamapimod

Name:
BENTAMAPIMOD

Mol. Formula:
C25H23N5O2S

M.W.:
457.56

10 activity values

7 unique targets

Type:
Small molecule

AlogP:
4.15

Polar Surface Area:
84.16

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA2425648

Name:
trans-4-(4-(imidazo[1,2-a]pyridin-3-yl)pyrimidin-2-ylamino)cyclohexanol

Mol. Formula:
C17H19N5O

M.W.:
309.37

Type:
Small molecule

AlogP:
2.51

Polar Surface Area:
75.34

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA2425647

Name:
trans-4-(4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrimidin-2-ylamino)cyclohexShow More⌵

Mol. Formula:
C16H18N6O

M.W.:
310.36

Type:
Small molecule

AlogP:
1.90

Polar Surface Area:
88.23

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA2425643

Name:
trans-4-(4-(indolin-1-yl)pyrimidin-2-ylamino)cyclohexanol

Mol. Formula:
C18H22N4O

M.W.:
310.40

Type:
Small molecule

AlogP:
2.89

Polar Surface Area:
61.28

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.91

DETAILS

ALA2425642

Name:
trans-4-(4-(1H-indol-3-yl)pyrimidin-2-ylamino)cyclohexanol

Mol. Formula:
C18H20N4O

M.W.:
308.38

Type:
Small molecule

AlogP:
3.34

Polar Surface Area:
73.83

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA2392839

Name:
trans-(3-ethoxypyrrolidin-1-yl)(4-(4-(4-(4-(methylsulfonyl)piperidin-1-yl)-Show More⌵

Mol. Formula:
C31H42N6O4S

M.W.:
594.78

Type:
Small molecule

AlogP:
4.04

Polar Surface Area:
109.66

HBA:
9

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA2392837

Name:
trans-ethyl 4-(4-(4-(4-(methylsulfonyl)piperidin-1-yl)-1H-indol-1-yl)pyrimiShow More⌵

Mol. Formula:
C27H35N5O4S

M.W.:
525.68

Type:
Small molecule

AlogP:
3.97

Polar Surface Area:
106.42

HBA:
9

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA2392836

Name:
trans-ethyl 4-(4-(4-(4-(methylsulfonyl)piperidin-1-yl)-1H-indazol-1-yl)pyriShow More⌵

Mol. Formula:
C26H34N6O4S

M.W.:
526.66

Type:
Small molecule

AlogP:
3.36

Polar Surface Area:
119.31

HBA:
10

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA2392835

Name:
trans-1-methyl-4-(4-(4-(4-(methylsulfonyl)piperidin-1-yl)-1H-indol-1-yl)pyrShow More⌵

Mol. Formula:
C25H33N5O3S

M.W.:
483.64

Type:
Small molecule

AlogP:
3.54

Polar Surface Area:
100.35

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA2392834

Name:
trans-N-(4-(4-(4-(4-(methylsulfonyl)piperidin-1-yl)-1H-indol-1-yl)pyrimidinShow More⌵

Mol. Formula:
C26H34N6O3S

M.W.:
510.66

Type:
Small molecule

AlogP:
3.29

Polar Surface Area:
109.22

HBA:
8

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA2392831

Name:
trans-N-(4-{4-[4-(1,1-Dioxo-tetrahydro-1lambda*6*-thiophen-3-ylmethoxy)-indShow More⌵

Mol. Formula:
C24H31N5O5S2

M.W.:
533.68

Type:
Small molecule

AlogP:
2.51

Polar Surface Area:
132.28

HBA:
9

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA2392828

Name:
trans-N-(4-(4-(4-(4-(2-hydroxyacetyl)piperazin-1-yl)-1H-indol-1-yl)pyrimidiShow More⌵

Mol. Formula:
C25H33N7O4S

M.W.:
527.65