Compounds

ALA3797430

Name:
3-(cyclohexyl(1-(2,6-dimethylphenyl)-1H-tetrazol-5-yl)methyl)-2,3,5,6-tetraShow More⌵

Mol. Formula:
C28H32N6O

M.W.:
468.61

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.01

Polar Surface Area:
79.70

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA3798243

Name:
3-((1-tert-butyl-1H-tetrazol-5-yl)(cyclohexyl)methyl)-2,3,5,6-tetrahydroazeShow More⌵

Mol. Formula:
C24H32N6O

M.W.:
420.56

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.16

Polar Surface Area:
79.70

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA3800195

Name:
3-((1-tert-butyl-1H-tetrazol-5-yl)(4-(dimethylamino)phenyl)methyl)-2,3,5,6-Show More⌵

Mol. Formula:
C26H31N7O

M.W.:
457.58

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.69

Polar Surface Area:
82.94

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA3800065

Name:
3-(benzo[d][1,3]dioxol-5-yl(1-tert-butyl-1H-tetrazol-5-yl)methyl)-2,3,5,6-tShow More⌵

Mol. Formula:
C25H26N6O3

M.W.:
458.52

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.35

Polar Surface Area:
98.16

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA3797434

Name:
3-((1-tert-butyl-1H-tetrazol-5-yl)(2,3-dimethoxyphenyl)methyl)-2,3,5,6-tetrShow More⌵

Mol. Formula:
C26H30N6O3

M.W.:
474.57

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.64

Polar Surface Area:
98.16

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA3799674

Name:
3-((4-bromophenyl)(1-tert-butyl-1H-tetrazol-5-yl)methyl)-2,3,5,6-tetrahydroShow More⌵

Mol. Formula:
C24H25BrN6O

M.W.:
493.41

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.39

Polar Surface Area:
79.70

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA3799028

Name:
3-((4-chlorophenyl)(1-(2,6-dimethylphenyl)-1H-tetrazol-5-yl)methyl)-2,3,5,6Show More⌵

Mol. Formula:
C28H25ClN6O

M.W.:
497.00

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.13

Polar Surface Area:
79.70

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA3799279

Name:
3-((4-chlorophenyl)(1-cyclohexyl-1H-tetrazol-5-yl)methyl)-2,3,5,6-tetrahydrShow More⌵

Mol. Formula:
C26H27ClN6O

M.W.:
475.00

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.03

Polar Surface Area:
79.70

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA3797957

Name:
3-((1-tert-butyl-1H-tetrazol-5-yl)(4-chlorophenyl)methyl)-2,3,5,6-tetrahydrShow More⌵

Mol. Formula:
C24H25ClN6O

M.W.:
448.96

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.28

Polar Surface Area:
79.70

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA3797890

Name:
2-cyclohexyl-N-(2,6-dimethylphenyl)-2-(4-oxo-1,4,5,6-tetrahydroazepino[4,5-Show More⌵

Mol. Formula:
C28H33N3O2

M.W.:
443.59

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.30

Polar Surface Area:
65.20

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA3799706

Name:
N-(tert-butyl)-2-cyclohexyl-2-(4-oxo-1,4,5,6-tetrahydroazepino[4,5-b]indol-Show More⌵

Mol. Formula:
C24H33N3O2

M.W.:
395.55

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.96

Polar Surface Area:
65.20

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA3798013

Name:
N-(tert-butyl)-2-(4-(dimethylamino)phenyl)-2-(4-oxo-1,4,5,6-tetrahydroazepiShow More⌵

Mol. Formula:
C26H32N4O2

M.W.:
432.57

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.82

Polar Surface Area:
68.44

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA3799039

Name:
2-(benzo[d][1,3]dioxol-5-yl)-N-(tert-butyl)-2-(4-oxo-1,4,5,6-tetrahydroazepShow More⌵

Mol. Formula:
C25H27N3O4

M.W.:
433.51

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.48

Polar Surface Area:
83.66

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA3799903

Name:
N-(tert-butyl)-2-(2,3-dimethoxyphenyl)-2-(4-oxo-1,4,5,6-tetrahydroazepino[4Show More⌵

Mol. Formula:
C26H31N3O4

M.W.:
449.55

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.77

Polar Surface Area:
83.66

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA3798364

Name:
2-(4-bromophenyl)-N-(tert-butyl)-2-(4-oxo-1,4,5,6-tetrahydroazepino[4,5-b]iShow More⌵

Mol. Formula:
C24H26BrN3O2

M.W.:
468.40

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.51

Polar Surface Area:
65.20

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA3800049

Name:
2-(4-chlorophenyl)-N-(2,6-dimethylphenyl)-2-(4-oxo-1,4,5,6-tetrahydroazepinShow More⌵

Mol. Formula:
C28H26ClN3O2

M.W.:
471.99

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.75

Polar Surface Area:
65.20

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA3800269

Name:
2-(4-chlorophenyl)-N-cyclohexyl-2-(4-oxo-1,4,5,6-tetrahydroazepino[4,5-b]inShow More⌵

Mol. Formula:
C26H28ClN3O2

M.W.:
449.98

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.94

Polar Surface Area:
65.20

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA3797813

Name:
N-tert-butyl-2-(4-chlorophenyl)-2-(4-oxo-1,2,4,5-tetrahydroazepino[4,5-b]inShow More⌵

Mol. Formula:
C24H26ClN3O2

M.W.:
423.94

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.40

Polar Surface Area:
65.20

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA1935588

Name:
6-(phenylsulfonyl)-1,2,3,4-tetrahydrobenzofuro[2,3-c]pyridine

Mol. Formula:
C17H15NO3S

M.W.:
313.38

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.91

Polar Surface Area:
59.31

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA515624

Name:
3-chloro-1-(phenylsulfonyl)-1,5,6,7,8,9-hexahydroazepino[4,5-f]indole

Mol. Formula:
C18H17ClN2O2S

M.W.:
360.87

8 activity values

7 unique targets

Type:
Small molecule

AlogP:
3.22

Polar Surface Area:
51.10

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.76

DETAILS