Compounds

Type:
Unknown

AlogP:
3.95

Polar Surface Area:
52.71

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4876671

Name:
cyclohexyl(4-((1-(3-methylbenzyl)-1H-benzo[d]imida
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Mol. Formula:
C27H34N4O

M.W.:
430.60

Type:
Unknown

AlogP:
4.62

Polar Surface Area:
41.37

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4876602

Name:
(R)-1-methyl-5-phenyl-6-((1-phenylethyl)thio)-1H-p
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Mol. Formula:
C20H18N4OS

M.W.:
362.46

13 activity values

5 unique targets

Type:
Unknown

AlogP:
3.97

Polar Surface Area:
52.71

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4876477

Name:
furan-2-yl(4-(1-(3-methylbenzyl)-1H-benzo[d]imidaz
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Mol. Formula:
C25H26N4O2

M.W.:
414.51

Type:
Unknown

AlogP:
4.70

Polar Surface Area:
63.30

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4876076

Name:
1-methyl-5-phenyl-6-((1-phenylpropyl)thio)-1H-pyra
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Mol. Formula:
C21H20N4OS

M.W.:
376.49

Type:
Unknown

AlogP:
4.36

Polar Surface Area:
52.71

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4875347

Name:
cyclopropyl(4-(1-isopentyl-1H-benzo[d]imidazol-2-y
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Mol. Formula:
C21H30N4O

M.W.:
354.50

Type:
Unknown

AlogP:
3.90

Polar Surface Area:
50.16

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA4874309

Name:
6-((1-(2-methoxyphenyl)ethylthio)-1-methyl-5-pheny
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Mol. Formula:
C21H20N4O2S

M.W.:
392.48

Type:
Unknown

AlogP:
3.98

Polar Surface Area:
61.94

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4874045

Name:
6-((1-(4-methoxyphenyl)ethyl)thio)-1-methyl-5-phen
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Mol. Formula:
C21H20N4O2S

M.W.:
392.48

Type:
Unknown

AlogP:
3.98

Polar Surface Area:
61.94

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4873915

Name:
cyclopropyl(4-(1-(3-methylbenzyl)-1H-benzo[d]imida
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Mol. Formula:
C24H28N4O

M.W.:
388.52

Type:
Unknown

AlogP:
4.21

Polar Surface Area:
50.16

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4873053

Name:
1-(4-((1-(3-methylbenzyl)-1H-benzo[d]imidazol-2-yl
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Mol. Formula:
C24H30N4O

M.W.:
390.53

Type:
Unknown

AlogP:
3.84

Polar Surface Area:
41.37

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4872998

Name:
(4-methoxyphenyl)(4-((1-(3-methylbenzyl)-1H-benzo[
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Mol. Formula:
C28H30N4O2

M.W.:
454.57

Type:
Unknown

AlogP:
4.36

Polar Surface Area:
50.60

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4872656

Name:
cyclobutyl(4-((1-(3-methylbenzyl)-1H-benzo[d]imida
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Mol. Formula:
C25H30N4O

M.W.:
402.54

Type:
Unknown

AlogP:
3.84

Polar Surface Area:
41.37

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4871643

Name:
NA

Cas Number:
3064-73-1

Mol. Formula:
C18H36N2S4

M.W.:
408.77

2 activity values

2 unique targets

Type:
Unknown

AlogP:
6.17

Polar Surface Area:
6.48

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4871374

Name:
(4-((1-(3-chlorobenzyl)-1H-benzo[d]imidazol-2-yl)m
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Mol. Formula:
C23H25ClN4O

M.W.:
408.93

6 activity values

5 unique targets

Type:
Unknown

AlogP:
3.79

Polar Surface Area:
41.37

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4871317

Name:
(4-((1-(3-methylbenzyl)-1H-benzo[d]imidazol-2-yl)m
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Mol. Formula:
C26H27N5O

M.W.:
425.54

Type:
Unknown

AlogP:
3.75

Polar Surface Area:
54.26

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4871242

Name:
cyclopropyl(4-((1-(3-methylbenzyl)-1H-benzo[d]imid
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Mol. Formula:
C24H28N4O

M.W.:
388.52

15 activity values

7 unique targets

Type:
Unknown

AlogP:
3.45

Polar Surface Area:
41.37

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4871148

Name:
(4-((1-benzyl-1H-benzo[d]imidazol-2-yl)methyl)pipe
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Mol. Formula:
C23H26N4O

M.W.:
374.49

Type:
Unknown

AlogP:
3.14

Polar Surface Area:
41.37

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4869675

Name:
NA

Mol. Formula:
C12H20N2O4S4

M.W.:
384.57

2 activity values

2 unique targets

Type:
Unknown

AlogP:
2.53

Polar Surface Area:
81.08

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4869532

Name:
cyclopropyl(4-((1-isobutyl-1H-benzo[d]imidazol-2-y
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Mol. Formula:
C20H28N4O

M.W.:
340.47