Compounds

ALA4105520

Name:
(E)-N-(4-(3-([1,4'-bipiperidin]-1'-yl)prop-1-en-1-yl)benzyl)-2,6-dimethyl-NShow More⌵

Mol. Formula:
C31H47N5

M.W.:
489.75

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
6.11

Polar Surface Area:
35.50

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4095336

Name:
(E)-N-(4-(3-([1,4'-bipiperidin]-1'-yl)prop-1-en-1-yl)benzyl)-2-methoxy-N-neShow More⌵

Mol. Formula:
C30H45N5O

M.W.:
491.72

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.50

Polar Surface Area:
44.73

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4090034

Name:
N-(4-(3-(4-isopropylpiperazin-1-yl)prop-1-yn-1-yl)benzyl)-2,6-dimethyl-N-neShow More⌵

Mol. Formula:
C28H41N5

M.W.:
447.67

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.52

Polar Surface Area:
35.50

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4087637

Name:
(E)-N-(4-(3-([1,4'-bipiperidin]-1'-yl)prop-1-en-1-yl)benzyl)-2-methyl-N-neoShow More⌵

Mol. Formula:
C30H45N5

M.W.:
475.73

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.80

Polar Surface Area:
35.50

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4077221

Name:
(E)-N-(4-(3-([1,4'-bipiperidin]-1'-yl)prop-1-en-1-yl)benzyl)-N-neopentyl-6-Show More⌵

Mol. Formula:
C30H42F3N5

M.W.:
529.70

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
6.51

Polar Surface Area:
35.50

HBA:
5

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4068102

Name:
N-(4-(3-(4-isopropylpiperazin-1-yl)prop-1-yn-1-yl)benzyl)-2-methoxy-N-neopeShow More⌵

Mol. Formula:
C27H39N5O

M.W.:
449.64

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.92

Polar Surface Area:
44.73

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4067930

Name:
(E)-N-(4-(3-([1,4'-bipiperidin]-1'-yl)prop-1-en-1-yl)benzyl)-2-chloro-N-neoShow More⌵

Mol. Formula:
C29H42ClN5

M.W.:
496.14

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
6.15

Polar Surface Area:
35.50

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4066364

Name:
(E)-N4-(4-(3-([1,4'-bipiperidin]-1'-yl)prop-1-en-1-yl)benzyl)-N2,N2-dimethyShow More⌵

Mol. Formula:
C31H48N6

M.W.:
504.77

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.56

Polar Surface Area:
38.74

HBA:
6

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4065230

Name:
2-chloro-N-(4-(3-(4-isopropylpiperazin-1-yl)prop-1-yn-1-yl)benzyl)-N-neopenShow More⌵

Mol. Formula:
C26H36ClN5

M.W.:
454.06

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.56

Polar Surface Area:
35.50

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA3810343

Name:
2-ethyl-5,7-dimethyl-3-(naphthalen-2-ylmethyl)-3H-imidazo[4,5-b]pyridine

Mol. Formula:
C21H21N3

M.W.:
315.42

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.81

Polar Surface Area:
30.71

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA3810339

Name:
3-benzyl-2-ethyl-5,7-dimethyl-3H-imidazo[4,5-b]pyridine

Mol. Formula:
C17H19N3

M.W.:
265.36

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.66

Polar Surface Area:
30.71

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA3808576

Name:
3-((2-ethyl-5,7-dimethyl-3H-imidazo[4,5-b]pyridin-3-yl)methyl)-10H-phenothiShow More⌵

Mol. Formula:
C23H22N4S

M.W.:
386.52

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.87

Polar Surface Area:
42.74

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA3809977

Name:
2-((2-ethyl-5,7-dimethyl-3H-imidazo[4,5-b]pyridin-3-yl)methyl)-5H-dibenzo[bShow More⌵

Mol. Formula:
C25H24N4

M.W.:
380.50

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.89

Polar Surface Area:
42.74

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA3808552

Name:
2-((1H-imidazol-1-yl)methyl)-10,11-dihydro-5H-dibenzo[b,f]azepine

Mol. Formula:
C18H17N3

M.W.:
275.36

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.77

Polar Surface Area:
29.85

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA3808954

Name:
2-((2-methyl-1H-imidazol-1-yl)methyl)-10,11-dihydro-5H-dibenzo[b,f]azepine

Mol. Formula:
C19H19N3

M.W.:
289.38

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.08

Polar Surface Area:
29.85

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA3809759

Name:
2-((2-ethyl-1H-imidazol-1-yl)methyl)-10,11-dihydro-5H-dibenzo[b,f]azepine

Mol. Formula:
C20H21N3

M.W.:
303.41

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.34

Polar Surface Area:
29.85

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA3810295

Name:
2-((9H-carbazol-9-yl)methyl)-10,11-dihydro-5H-dibenzo[b,f]azepine

Mol. Formula:
C27H22N2

M.W.:
374.49

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
6.69

Polar Surface Area:
16.96

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA3810132

Name:
2-((1H-indol-1-yl)methyl)-10,11-dihydro-5H-dibenzo[b,f]azepine

Mol. Formula:
C23H20N2

M.W.:
324.43

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.53

Polar Surface Area:
16.96

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA3810150

Name:
2-((1H-benzo[d]imidazol-1-yl)methyl)-10,11-dihydro-5H-dibenzo[b,f]azepine

Mol. Formula:
C22H19N3

M.W.:
325.42

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.93

Polar Surface Area:
29.85

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA3808563

Name:
2-((2-methyl-1H-benzo[d]imidazol-1-yl)methyl)-10,11-dihydro-5H-dibenzo[b,f]Show More⌵

Mol. Formula:
C23H21N3

M.W.:
339.44

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.24

Polar Surface Area:
29.85

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.54

DETAILS