Compounds

Type:
Small molecule

AlogP:
2.75

Polar Surface Area:
29.46

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA4215223

Name:
5-(1-(4-isobutylphenyl)ethyl)-1H-tetrazole

Mol. Formula:
C13H18N4

M.W.:
230.32

Type:
Small molecule

AlogP:
2.55

Polar Surface Area:
54.46

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA4212720

Name:
3-[1-(4-Isobutyl-phenyl)-ethyl]-1,1-dioxo-1lambda(6)-thietan-3-ol

Mol. Formula:
C15H22O3S

M.W.:
282.41

Type:
Small molecule

AlogP:
2.15

Polar Surface Area:
54.37

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.92

DETAILS

ALA4208328

Name:
3-(1-(4-isobutylphenyl)ethyl)thietan-3-ol

Mol. Formula:
C15H22OS

M.W.:
250.41

Type:
Small molecule

AlogP:
3.47

Polar Surface Area:
20.23

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA4203992

Name:
3-hydroxy-5-(4-isobutylphenyl)cyclopent-2-enone

Mol. Formula:
C15H18O2

M.W.:
230.31

Type:
Small molecule

AlogP:
3.38

Polar Surface Area:
37.30

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA4203468

Name:
3-[1-(4-Isobutyl-phenyl)-ethyl]-1-oxo-thietan-3-ol

Mol. Formula:
C15H22O2S

M.W.:
266.41

Type:
Small molecule

AlogP:
2.48

Polar Surface Area:
43.29

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA4105067

Name:
2-Chloro-1-(4-chlorophenyl)-5-phenyl-1H-imidazole

Mol. Formula:
C15H10Cl2N2

M.W.:
289.17

Type:
Small molecule

AlogP:
4.85

Polar Surface Area:
17.82

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4104672

Name:
2,4-Dichloro-1-(4-chlorophenyl)-5-(2,6-difluorophenyl)-1H-imidazole

Mol. Formula:
C15H7Cl3F2N2

M.W.:
359.59

Type:
Small molecule

AlogP:
5.78

Polar Surface Area:
17.82

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4104473

Name:
4-Chloro-5-(3-chloro-2,6-difluorophenyl)-1-(4-chlorophenyl)-2-methyl-1H-imiShow More⌵

Mol. Formula:
C16H9Cl3F2N2

M.W.:
373.62

5 activity values

Type:
Small molecule

AlogP:
6.09

Polar Surface Area:
17.82

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4103043

Name:
2-Chloro-1-(4-chloro-3-fluorophenyl)-5-(2,3,6-trifluorophenyl)-1H-imidazole

Mol. Formula:
C15H6Cl2F4N2

M.W.:
361.12

Type:
Small molecule

AlogP:
5.40

Polar Surface Area:
17.82

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA4102640

Name:
2,4-Dichloro-1-(2-chlorophenyl)-5-(2,6-difluorophenyl)-1H-imidazole

Mol. Formula:
C15H7Cl3F2N2

M.W.:
359.59

Type:
Small molecule

AlogP:
5.78

Polar Surface Area:
17.82

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4102067

Name:
4-Chloro-1-(4-chlorophenyl)-5-(2,6-difluoro-3-methylphenyl)-1H-imidazole

Mol. Formula:
C16H10Cl2F2N2

M.W.:
339.17

Type:
Small molecule

AlogP:
5.43

Polar Surface Area:
17.82

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4101335

Name:
4-Chloro-1-(4-chlorophenyl)-5-(2,6-difluorophenyl)-2-ethyl-1H-imidazole

Mol. Formula:
C17H12Cl2F2N2

M.W.:
353.20

5 activity values

Type:
Small molecule

AlogP:
5.69

Polar Surface Area:
17.82

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4101156

Name:
5-(3-Bromo-2,6-difluorophenyl)-4-chloro-1-(4-chlorophenyl)-1H-imidazole

Mol. Formula:
C15H7BrCl2F2N2

M.W.:
404.04

9 activity values

5 unique targets

Type:
Small molecule

AlogP:
5.89

Polar Surface Area:
17.82

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4100580

Name:
2-Chloro-1-(4-chlorophenyl)-5-(4-fluorophenyl)-1H-imidazole

Mol. Formula:
C15H9Cl2FN2

M.W.:
307.15

Type:
Small molecule

AlogP:
4.99

Polar Surface Area:
17.82

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4100107

Name:
2,4-Dichloro-1-(4-chlorophenyl)-5-(2,4,6-trifluorophenyl)-1H-imidazole

Mol. Formula:
C15H6Cl3F3N2

M.W.:
377.58

Type:
Small molecule

AlogP:
5.92

Polar Surface Area:
17.82

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4100090

Name:
4-Chloro-1-(4-chlorophenyl)-5-phenyl-1H-imidazole

Mol. Formula:
C15H10Cl2N2

M.W.:
289.17

9 activity values

5 unique targets

Type:
Small molecule

AlogP:
4.85

Polar Surface Area:
17.82

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4099679

Name:
1-(4-Chlorophenyl)-5-(2,6-difluorophenyl)-2,4-dimethyl-1H-imidazole

Mol. Formula:
C17H13ClF2N2

M.W.:
318.75

Type:
Small molecule

AlogP:
5.09

Polar Surface Area:
17.82

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4099619

Name:
4-Chloro-1-(4-chloro-2-fluorophenyl)-5-(2,6-difluorophenyl)-1H-imidazole

Mol. Formula:
C15H7Cl2F3N2

M.W.:
343.13

Type:
Small molecule

AlogP:
5.26

Polar Surface Area:
17.82

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4098722

Name:
1-(4-Chlorophenyl)-5-(2,4,6-trifluorophenyl)-1H-imidazole

Mol. Formula:
C15H8ClF3N2

M.W.:
308.69