Compounds

ALA5278529

Name:
(2E,4E,6Z)-7-(3,5-di-tert-butylphenyl)-3-methylocta-2,4,6-trienoic acid

Mol. Formula:
C23H32O2

M.W.:
340.51

Type:
---

AlogP:
6.27

Polar Surface Area:
37.30

HBA:
1

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA3621649

Name:
2-(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)-1H-benzo[d]-imidaShow More⌵

Mol. Formula:
C18H13N5OS

M.W.:
347.40

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
4.02

Polar Surface Area:
79.10

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA3621648

Name:
5-(5-chloro-6-fluoro-1H-benzo[d]imidazol-2-yl)-2-methyl-6-p-tolylimidazo[2,Show More⌵

Mol. Formula:
C19H13ClFN5S

M.W.:
397.87

22 activity values

4 unique targets

Type:
Small molecule

AlogP:
5.41

Polar Surface Area:
58.87

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA3621647

Name:
2-methyl-5-(5-methyl-1H-benzo[d]imidazol-2-yl)-6-phenylimidazo[2,1-b][1,3,4Show More⌵

Mol. Formula:
C19H15N5S

M.W.:
345.43

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
4.62

Polar Surface Area:
58.87

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA3621646

Name:
5-(5,6-dimethyl-1H-benzo[d]imidazol-2-yl)-6-(4-fluorophenyl)-2-methyl-imidaShow More⌵

Mol. Formula:
C20H16FN5S

M.W.:
377.45

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
5.07

Polar Surface Area:
58.87

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA3621645

Name:
5-(4,5-dimethyl-1H-benzo[d]imidazol-2-yl)-2-methyl-6-p-tolylimidazo[2,1-b][Show More⌵

Mol. Formula:
C21H19N5S

M.W.:
373.49

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
5.23

Polar Surface Area:
58.87

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA3621644

Name:
2-methyl-5-(5-methyl-1H-benzo[d]imidazol-2-yl)-6-p-tolylimidazo[2,1-b][1,3,Show More⌵

Mol. Formula:
C20H17N5S

M.W.:
359.46

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
4.93

Polar Surface Area:
58.87

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA3621643

Name:
5-(5,6-dichloro-1H-benzo[d]imidazol-2-yl)-6-(4-fluorophenyl)-2-methyl-imidaShow More⌵

Mol. Formula:
C18H10Cl2FN5S

M.W.:
418.28

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
5.76

Polar Surface Area:
58.87

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA3621642

Name:
5-(5-chloro-1H-benzo[d]imidazol-2-yl)-6-(4-methoxyphenyl)-2-methyl-imidazo[Show More⌵

Mol. Formula:
C19H14ClN5OS

M.W.:
395.88

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
4.97

Polar Surface Area:
68.10

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA3621641

Name:
6-(4-fluorophenyl)-2-methyl-5-(5-methyl-1H-benzo[d]imidazol-2-yl)imidazo[2,Show More⌵

Mol. Formula:
C19H14FN5S

M.W.:
363.42

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
4.76

Polar Surface Area:
58.87

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA3621640

Name:
5-(5-fluoro-1H-benzo[d]imidazol-2-yl)-2-methyl-6-phenylimidazo[2,1-b][1,3,4Show More⌵

Mol. Formula:
C18H12FN5S

M.W.:
349.39

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
4.45

Polar Surface Area:
58.87

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA3621639

Name:
6-(4-methoxyphenyl)-2-methyl-5-(5-methyl-1H-benzo[d]imidazol-2-yl)-imidazo[Show More⌵

Mol. Formula:
C20H17N5OS

M.W.:
375.46

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
4.63

Polar Surface Area:
68.10

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA3621312

Name:
5-(1H-benzo[d]imidazol-2-yl)-2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazShow More⌵

Mol. Formula:
C18H13N5S

M.W.:
331.40

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
4.31

Polar Surface Area:
58.87

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA3621311

Name:
5-(5,6-dimethyl-1H-benzo[d]imidazol-2-yl)-6-(4-methoxyphenyl)-2-methylimidaShow More⌵

Mol. Formula:
C21H19N5OS

M.W.:
389.48

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
4.93

Polar Surface Area:
68.10

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA3621310

Name:
6-(4-fluorophenyl)-2-methyl-5-(5-(trifluoromethyl)-1H-benzo[d]imidazol-2-ylShow More⌵

Mol. Formula:
C19H11F4N5S

M.W.:
417.39

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
5.47

Polar Surface Area:
58.87

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA3621309

Name:
5-(5-chloro-6-fluoro-1H-benzo[d]imidazol-2-yl)-6-(4-methoxyphenyl)-2-methylShow More⌵

Mol. Formula:
C19H13ClFN5OS

M.W.:
413.87

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
5.11

Polar Surface Area:
68.10

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA3621308

Name:
5-(4,5-dimethyl-1H-benzo[d]imidazol-2-yl)-6-(4-methoxyphenyl)-2-methylimidaShow More⌵

Mol. Formula:
C21H19N5OS

M.W.:
389.48

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
4.93

Polar Surface Area:
68.10

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA3621307

Name:
5-(5-chloro-6-fluoro-1H-benzo[d]imidazol-2-yl)-2-methyl-6-phenylimidazo[2,1Show More⌵

Mol. Formula:
C18H11ClFN5S

M.W.:
383.84

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
5.10

Polar Surface Area:
58.87

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA3621306

Name:
2-methyl-6-phenyl-5-(5-(trifluoromethyl)-1H-benzo[d]imidazol-2-yl)imidazo[2Show More⌵

Mol. Formula:
C19H12F3N5S

M.W.:
399.40

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
5.33

Polar Surface Area:
58.87

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA3621305

Name:
5-(4,5-dimethyl-1H-benzo[d]imidazol-2-yl)-2-methyl-6-phenylimidazo[2,1-b][1Show More⌵

Mol. Formula:
C20H17N5S

M.W.:
359.46

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
4.93

Polar Surface Area:
58.87

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.49

DETAILS