Compounds

ALA61348

Name:
N-[3-(4-Chloro-phenyl)-3-pyridin-2-yl-propyl]-4-(1H-imidazol-4-yl)-butyramiShow More⌵

Mol. Formula:
C21H24ClN5

M.W.:
381.91

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.57

Polar Surface Area:
77.45

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA60175

Name:
[3-(4-Chloro-phenyl)-3-pyridin-2-yl-propyl]-[5-(1H-imidazol-4-yl)-pentyl]-aShow More⌵

Mol. Formula:
C22H27ClN4

M.W.:
382.94

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.98

Polar Surface Area:
53.60

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA58973

Name:
[3-(4-Chloro-phenyl)-3-pyridin-2-yl-propyl]-[5-(1H-imidazol-4-yl)-pentyl]-mShow More⌵

Mol. Formula:
C23H29ClN4

M.W.:
396.97

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.32

Polar Surface Area:
44.81

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA418653

Name:
N-[4-(1H-Imidazol-4-yl)-butyl]-3,3-di-pyridin-2-yl-propionamide

Mol. Formula:
C20H23N5O

M.W.:
349.44

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.86

Polar Surface Area:
83.56

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA59123

Name:
(3,3-Di-pyridin-2-yl-propyl)-[4-(1H-imidazol-4-yl)-butyl]-amine

Mol. Formula:
C20H25N5

M.W.:
335.46

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.33

Polar Surface Area:
66.49

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA58549

Name:
N-[3-(4-Chloro-phenyl)-3-pyridin-2-yl-propyl]-3-(1H-imidazol-4-yl)-propionaShow More⌵

Mol. Formula:
C20H21ClN4O

M.W.:
368.87

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.73

Polar Surface Area:
70.67

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA58239

Name:
1-[3-(4-Chloro-phenyl)-3-pyridin-2-yl-propyl]-3-[4-(1H-imidazol-4-yl)-butylShow More⌵

Mol. Formula:
C22H26ClN5O

M.W.:
411.94

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.30

Polar Surface Area:
82.70

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA59504

Name:
3-(4-Chloro-phenyl)-N-[2-(1H-imidazol-4-yl)-ethyl]-3-pyridin-2-yl-propionamShow More⌵

Mol. Formula:
C19H20ClN5

M.W.:
353.86

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.79

Polar Surface Area:
77.45

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA292195

Name:
[3-(4-Chloro-phenyl)-3-pyridin-2-yl-propyl]-[4-(1H-imidazol-4-yl)-butyl]-meShow More⌵

Mol. Formula:
C22H27ClN4

M.W.:
382.94

6 activity values

4 unique targets

Type:
Small molecule

AlogP:
4.93

Polar Surface Area:
44.81

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA444827

Name:
3-(4-Chloro-phenyl)-N-[4-(1H-imidazol-4-yl)-butyl]-3-pyridin-2-yl-propionamShow More⌵

Mol. Formula:
C21H23ClN4O

M.W.:
382.90

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.12

Polar Surface Area:
70.67

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA61437

Name:
3-(4-Chloro-phenyl)-N-[4-(1H-imidazol-4-yl)-butyl]-N-methyl-3-pyridin-2-yl-Show More⌵

Mol. Formula:
C22H25ClN4O

M.W.:
396.92

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.46

Polar Surface Area:
61.88

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA446147

Name:
[3-(4-Chloro-phenyl)-3-pyridin-2-yl-propyl]-[3-(1H-imidazol-4-yl)-propyl]-mShow More⌵

Mol. Formula:
C21H25ClN4

M.W.:
368.91

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.54

Polar Surface Area:
44.81

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA292909

Name:
3-(4-Chloro-phenyl)-N-[2-(1H-imidazol-4-yl)-ethyl]-N-methyl-3-pyridin-2-yl-Show More⌵

Mol. Formula:
C20H21ClN4O

M.W.:
368.87

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.68

Polar Surface Area:
61.88

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA59512

Name:
[3-(4-Chloro-phenyl)-3-pyridin-2-yl-propyl]-[4-(1H-imidazol-4-yl)-butyl]-amShow More⌵

Mol. Formula:
C21H25ClN4

M.W.:
368.91

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.59

Polar Surface Area:
53.60

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA293895

Name:
[3-(4-Chloro-phenyl)-3-pyridin-2-yl-propyl]-[2-(1H-imidazol-4-yl)-ethyl]-amShow More⌵

Mol. Formula:
C19H21ClN4

M.W.:
340.86

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.81

Polar Surface Area:
53.60

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA60524

Name:
3-(4-Chloro-phenyl)-N-[2-(1H-imidazol-4-yl)-ethyl]-3-pyridin-2-yl-propionamShow More⌵

Mol. Formula:
C19H19ClN4O

M.W.:
354.84

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.34

Polar Surface Area:
70.67

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA417951

Name:
N-[3-(4-Chloro-phenyl)-3-pyridin-2-yl-propyl]-3-(1H-imidazol-4-yl)-N-methylShow More⌵

Mol. Formula:
C21H23ClN4O

M.W.:
382.89

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.07

Polar Surface Area:
61.88

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA60961

Name:
[3-(4-Chloro-phenyl)-3-pyridin-2-yl-propyl]-[3-(1H-imidazol-4-yl)-propyl]-aShow More⌵

Mol. Formula:
C20H23ClN4

M.W.:
354.89

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.20

Polar Surface Area:
53.60

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.57

DETAILS