Compounds

1 unique targets

Type:
Small molecule

AlogP:
4.75

Polar Surface Area:
93.78

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA3787050

Name:
2-Butyl-4-chloro-1-((2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)-[1,1'-biphShow More⌵

Mol. Formula:
C23H23ClN4O3

M.W.:
438.92

1 unique targets

Type:
Small molecule

AlogP:
4.43

Polar Surface Area:
96.94

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA2260200

Name:
dimethyl 4'-((1-methyl-1H,3'H-2,5'-bibenzo[d]imidazol-3'-yl)methyl)biphenylShow More⌵

Mol. Formula:
C32H26N4O4

M.W.:
530.58

Type:
Small molecule

AlogP:
5.88

Polar Surface Area:
88.24

HBA:
8

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA2260199

Name:
4'-((1,7'-dimethyl-2'-propyl-1H,3'H-2,5'-bibenzo[d]imidazol-3'-yl)methyl)biShow More⌵

Mol. Formula:
C34H30N4O4

M.W.:
558.64

Type:
Small molecule

AlogP:
6.96

Polar Surface Area:
110.24

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA2260198

Name:
Dimethyl 4'-((1,7'-dimethyl-2'-propyl-1H,3'H-2,5'-bibenzo[d]imidazol-3'-yl)Show More⌵

Mol. Formula:
C36H34N4O4

M.W.:
586.69

Type:
Small molecule

AlogP:
7.14

Polar Surface Area:
88.24

HBA:
8

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA2260197

Name:
methyl 4'-((4-methyl-1H-benzo[d]imidazol-1-yl)methyl)biphenyl-2-carboxylate

Mol. Formula:
C23H20N2O2

M.W.:
356.43

Type:
Small molecule

AlogP:
4.85

Polar Surface Area:
44.12

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA2260196

Name:
methyl 4'-((1H-benzo[d]imidazol-1-yl)methyl)biphenyl-2-carboxylate

Mol. Formula:
C22H18N2O2

M.W.:
342.40

Type:
Small molecule

AlogP:
4.54

Polar Surface Area:
44.12

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA2260195

Name:
3'-(biphenyl-4-ylmethyl)-1-methyl-1H,3'H-2,5'-bibenzo[d]imidazole

Mol. Formula:
C28H22N4

M.W.:
414.51

Type:
Small molecule

AlogP:
6.31

Polar Surface Area:
35.64

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA2260194

Name:
methyl 4'-((1,2'-dimethyl-1H,3'H-2,5'-bibenzo[d]imidazol-3'-yl)methyl)bipheShow More⌵

Mol. Formula:
C31H26N4O2

M.W.:
486.58

Type:
Small molecule

AlogP:
6.40

Polar Surface Area:
61.94

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA2260193

Name:
methyl 4'-((1,2'-dimethyl-1H,3'H-2,5'-bibenzo[d]imidazol-3'-yl)methyl)bipheShow More⌵

Mol. Formula:
C31H26N4O2

M.W.:
486.58

Type:
Small molecule

AlogP:
6.40

Polar Surface Area:
61.94

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA2260192

Name:
dimethyl 4'-((1,2'-dimethyl-1H,3'H-2,5'-bibenzo[d]imidazol-3'-yl)methyl)bipShow More⌵

Mol. Formula:
C33H28N4O4

M.W.:
544.61

Type:
Small molecule

AlogP:
6.19

Polar Surface Area:
88.24

HBA:
8

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA2260191

Name:
methyl 4'-((1-methyl-1H,3'H-2,5'-bibenzo[d]imidazol-3'-yl)methyl)biphenyl-4Show More⌵

Mol. Formula:
C30H24N4O2

M.W.:
472.55

Type:
Small molecule

AlogP:
6.09

Polar Surface Area:
61.94

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA2260190

Name:
methyl 4'-((1-methyl-1H,3'H-2,5'-bibenzo[d]imidazol-3'-yl)methyl)biphenyl-2Show More⌵

Mol. Formula:
C30H24N4O2

M.W.:
472.55

Type:
Small molecule

AlogP:
6.09

Polar Surface Area:
61.94

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA2260189

Name:
methyl 2-(2-(1,7'-dimethyl-2'-propyl-1H,3'H-2,5'-bibenzo[d]imidazol-3'-yl)eShow More⌵

Mol. Formula:
C33H33N5O5S

M.W.:
611.72

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.61

Polar Surface Area:
117.34

HBA:
10

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA2260188

Name:
methyl 5-((2,4-dioxothiazolidin-5-yl)methyl)-2-(2-(4-methyl-6-phenyl-2-propShow More⌵

Mol. Formula:
C31H31N3O5S

M.W.:
557.67

2 unique targets

Type:
Small molecule

AlogP:
5.72

Polar Surface Area:
99.52

HBA:
8

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA2260187

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

Mol. Formula:
C31H37N3O5S

M.W.:
563.72