Compounds

ALA2207812

Name:
2-((Biphenyl-4-yloxy)methyl)-N-(furan-2-ylmethyl)-1H-benzo[d]imidazole-5-caShow More⌵

Mol. Formula:
C26H21N3O3

M.W.:
423.47

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.33

Polar Surface Area:
80.15

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA2207811

Name:
N-(Furan-2-ylmethyl)-2-(phenoxymethyl)-1H-benzo[d]imidazole-5-carboxamide

Mol. Formula:
C20H17N3O3

M.W.:
347.37

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.66

Polar Surface Area:
80.15

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA2207810

Name:
2-(4-Adamantan-1-yl-phenoxymethyl)-N-((thiophen-2-yl)methyl)-1H-benzo[d]imiShow More⌵

Mol. Formula:
C30H31N3O2S

M.W.:
497.66

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
6.60

Polar Surface Area:
67.01

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA2207809

Name:
2-(4-Adamantan-1-yl-phenoxymethyl)-N-(((S)-tetrahydrofuran-2-yl)methyl)-1H-Show More⌵

Mol. Formula:
C30H35N3O3

M.W.:
485.63

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.52

Polar Surface Area:
76.24

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA2207808

Name:
2-(4-Adamantan-1-yl-phenoxymethyl)-N-(((R)-tetrahydrofuran-2-yl)methyl)-1H-Show More⌵

Mol. Formula:
C30H35N3O3

M.W.:
485.63

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.52

Polar Surface Area:
76.24

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA2207807

Name:
2-(4-Adamantan-1-yl-phenoxymethyl)-N-((5-methylfuran-2-yl)methyl)-1H-benzo[Show More⌵

Mol. Formula:
C31H33N3O3

M.W.:
495.62

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
6.44

Polar Surface Area:
80.15

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA2207806

Name:
2-(4-Adamantan-1-yl-phenoxymethyl)-N-((3-methylfuran-2-yl)methyl)-1H-benzo[Show More⌵

Mol. Formula:
C31H33N3O3

M.W.:
495.62

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
6.44

Polar Surface Area:
80.15

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA2207804

Name:
2-((4-Adamantan-1-yl-phenoxy)methyl)-N-((pyridin-2-yl)methyl)-1H-benzo[d]imShow More⌵

Mol. Formula:
C31H32N4O2

M.W.:
492.62

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.93

Polar Surface Area:
79.90

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA2207803

Name:
2-(4-Adamantan-1-yl-phenoxymethyl)-N-benzyl-1H-benzo[d]imidazole-5-carboxamShow More⌵

Mol. Formula:
C32H33N3O2

M.W.:
491.64

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
6.54

Polar Surface Area:
67.01

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA2207802

Name:
2-(4-adamantan-1-yl-phenoxymethyl)-N-(2,6-diisopropylphenyl)-1H-benzo[d]imiShow More⌵

Mol. Formula:
C37H43N3O2

M.W.:
561.77

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
9.11

Polar Surface Area:
67.01

HBA:
3

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA2207801

Name:
2-(4-Adamantan-1-yl-phenoxymethyl)-N-phenyl-1H-benzo[d]imidazole-5-carboxamShow More⌵

Mol. Formula:
C31H31N3O2

M.W.:
477.61

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
6.86

Polar Surface Area:
67.01

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA2207800

Name:
(2-((4-Adamantan-1-yl-phenoxy)methyl)-1H-benzo[d]imidazol-5-yl)(piperidin-1Show More⌵

Mol. Formula:
C30H35N3O2

M.W.:
469.63

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
6.24

Polar Surface Area:
58.22

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA2207799

Name:
(2-((4-Adamantan-1-yl-phenoxy)methyl)-1H-benzo[d]imidazol-5-yl)(pyrrolidin-Show More⌵

Mol. Formula:
C29H33N3O2

M.W.:
455.60

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.85

Polar Surface Area:
58.22

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA2207798

Name:
2-(4-Adamantan-1-yl-phenoxymethyl)-N-isopropyl-1H-benzo[d]imidazole-5-carboShow More⌵

Mol. Formula:
C28H33N3O2

M.W.:
443.59

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.75

Polar Surface Area:
67.01

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA2207797

Name:
2-((4-Adamantan-1-yl-phenoxy)methyl)-N,N-dimethyl 1H-benzo[d]imidazole-5-caShow More⌵

Mol. Formula:
C27H31N3O2

M.W.:
429.56

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.31

Polar Surface Area:
58.22

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA2207796

Name:
2-((4-Adamantan-1-yl-phenoxy)methyl)-1H-benzo[d]imidazole-5-carboxamide

Mol. Formula:
C25H27N3O2

M.W.:
401.51

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.71

Polar Surface Area:
81.00

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA2207795

Name:
2-(4-Adamantan-1-yl-phenoxymethyl)-1H-benzimidazole-5-carboxylic acid

Mol. Formula:
C25H26N2O3

M.W.:
402.49

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.31

Polar Surface Area:
75.21

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA2207794

Name:
2-((4-tert-Butylphenoxy)methyl)-N-(furan-2-ylmethyl)-1H-benzo[d]imidazole-5Show More⌵

Mol. Formula:
C24H25N3O3

M.W.:
403.48

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.96

Polar Surface Area:
80.15

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.48

DETAILS