Compounds

Type:
Unknown

AlogP:
3.54

Polar Surface Area:
73.06

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA5085869

Name:
9-methyl-1-((1r,4S)-4-(pyridin-2-yloxy)cyclohexyl)-5,6-dihydro-4H-benzo[f][Show More⌵

Mol. Formula:
C23H26N4O2

M.W.:
390.49

3 activity values

Type:
Unknown

AlogP:
3.54

Polar Surface Area:
73.06

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA5083404

Name:
9-chloro-1-((1r,4S)-4-(pyridin-2-yloxy)cyclohexyl)-5,6-dihydro-4H-benzo[f][Show More⌵

Mol. Formula:
C22H23ClN4O2

M.W.:
410.91

1 activity values

Type:
Unknown

AlogP:
3.88

Polar Surface Area:
73.06

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA5081323

Name:
8-methyl-1-((1r,4S)-4-(pyridin-2-yloxy)cyclohexyl)-5,6-dihydro-4H-benzo[f][Show More⌵

Mol. Formula:
C23H26N4O2

M.W.:
390.49

3 activity values

Type:
Unknown

AlogP:
3.54

Polar Surface Area:
73.06

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA5079921

Name:
(aR,5S)-10-Methyl-1-[1-(pyridin-2-yl)piperidin-4-yl]-5,6-dihydro-4H-(1,2,4)Show More⌵

Mol. Formula:
C23H26N4O

M.W.:
374.49

Type:
Unknown

AlogP:
3.42

Polar Surface Area:
54.18

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA5078950

Name:
(aR,5S)-10-Methyl-1-(trans-4-(pyridin-2-yloxy)cyclohexyl)-5,6-dihydro-4H-(1Show More⌵

Mol. Formula:
C23H26N4O2

M.W.:
390.49

Type:
Unknown

AlogP:
3.54

Polar Surface Area:
73.06

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA5074961

Name:
7-chloro-1-((1r,4S)-4-(pyridin-2-yloxy)cyclohexyl)-5,6-dihydro-4H-benzo[f][Show More⌵

Mol. Formula:
C22H23ClN4O2

M.W.:
410.91

1 activity values

Type:
Unknown

AlogP:
3.88

Polar Surface Area:
73.06

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA5071635

Name:
(-)-(aR,5R)-10-Methyl-1-(trans-4-(pyridin-2-yloxy)cyclohexyl)-5,6-dihydro-4Show More⌵

Mol. Formula:
C23H26N4O2

M.W.:
390.49

Type:
Unknown

AlogP:
3.54

Polar Surface Area:
73.06

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA5070501

Name:
(aS,5R)-10-Methyl-1-[1-(pyridin-2-yl)piperidin-4-yl]-5,6-dihydro-4H-(1,2,4)Show More⌵

Mol. Formula:
C23H26N4O

M.W.:
374.49

Type:
Unknown

AlogP:
3.42

Polar Surface Area:
54.18

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4800395

Name:
7-chloro-1-(1-(4-fluorophenylsulfonyl)piperidin-4-yl)-4,5-dihydro-[1,2,4]trShow More⌵

Mol. Formula:
C21H20ClFN4O2S

M.W.:
446.94

Type:
Unknown

AlogP:
3.73

Polar Surface Area:
68.09

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4799793

Name:
(S)-8-chloro-1-((1r,4r)-4-(pyridin-2-yloxy)cyclohexyl)-5,6-dihydro-4H-benzoShow More⌵

Mol. Formula:
C22H23ClN4O

M.W.:
394.91

27 activity values

7 unique targets

Type:
Unknown

AlogP:
4.91

Polar Surface Area:
52.83

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA4799501

Name:
(5-chloroindolin-1-yl)(4-o-tolylpiperazin-1-yl)methanone

Mol. Formula:
C20H22ClN3O

M.W.:
355.87

Type:
Unknown

AlogP:
3.95

Polar Surface Area:
26.79

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA4799412

Name:
(S)-8-bromo-1-((1r,4r)-4-(pyridin-2-yloxy)cyclohexyl)-5,6-dihydro-4H-benzo[Show More⌵

Mol. Formula:
C22H23BrN4O

M.W.:
439.36

7 activity values

Type:
Unknown

AlogP:
5.02

Polar Surface Area:
52.83

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4798616

Name:
(4-benzylpiperazin-1-yl)(6-chloro-3,4-dihydroquinoxalin-1(2H)-yl)methanone

Mol. Formula:
C20H23ClN4O

M.W.:
370.88

Type:
Unknown

AlogP:
3.51

Polar Surface Area:
38.82

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA4798542

Name:
(6-chloro-4-methyl-3,4-dihydroquinoxalin-1(2H)-yl)(4-(3-chloropyridin-2-yl)Show More⌵

Mol. Formula:
C19H21Cl2N5O

M.W.:
406.32

Type:
Unknown

AlogP:
3.59

Polar Surface Area:
42.92

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4797387

Name:
8-ethyl-1-(1-(pyridin-2-yl)piperidin-4-yl)-5,6-dihydro-4H-benzo[f][1,2,4]trShow More⌵

Mol. Formula:
C23H27N5

M.W.:
373.50

5 activity values

Type:
Unknown

AlogP:
4.10

Polar Surface Area:
46.84

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4796133

Name:
(6-chloro-3,4-dihydroquinoxalin-1(2H)-yl)(4-(3-methylpyridin-2-yl)piperazinShow More⌵

Mol. Formula:
C19H22ClN5O

M.W.:
371.87

Type:
Unknown

AlogP:
3.22

Polar Surface Area:
51.71

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA4795303

Name:
6-chloro-1-[1-(2-pyridyl)-4-piperidyl]-3H-[1,2,4]triazolo[4,3-a]benzimidazoShow More⌵

Mol. Formula:
C18H17ClN6

M.W.:
352.83

Type:
Unknown

AlogP:
3.64

Polar Surface Area:
62.11

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4794001

Name:
(6-chloro-4-methyl-3,4-dihydroquinoxalin-1(2H)-yl)(4-o-tolylpiperazin-1-yl)Show More⌵

Mol. Formula:
C21H25ClN4O

M.W.:
384.91