Compounds

Type:
Small molecule

AlogP:
7.43

Polar Surface Area:
77.63

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA3980621

Name:
Methyl 4-(1-((1-(2-((2,5-dichlorophenyl)amino)-2-oxoethyl)-1H-1,2,3-triazolShow More⌵

Mol. Formula:
C34H26Cl2N6O3

M.W.:
637.53

Type:
Small molecule

AlogP:
7.26

Polar Surface Area:
103.93

HBA:
8

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA3976877

Name:
N-(2,4-Dichlorophenyl)-2-(4-((2-(3,4-dimethoxyphenyl)-4,5-diphenyl-1H-imidaShow More⌵

Mol. Formula:
C34H28Cl2N6O3

M.W.:
639.54

Type:
Small molecule

AlogP:
7.49

Polar Surface Area:
96.09

HBA:
8

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA3972604

Name:
N-(4-Chlorophenyl)-2-(4-((4,5-diphenyl-2-(3,4,5-trimethoxyphenyl)-1H-imidazShow More⌵

Mol. Formula:
C35H31ClN6O4

M.W.:
635.12

Type:
Small molecule

AlogP:
6.84

Polar Surface Area:
105.32

HBA:
9

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA3968348

Name:
2-(4-((2-(4-Bromophenyl)-4,5-diphenyl-1H-imidazol-1-yl)methyl)-1H-1,2,3-triShow More⌵

Mol. Formula:
C33H27BrN6O

M.W.:
603.52

Type:
Small molecule

AlogP:
7.23

Polar Surface Area:
77.63

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA3950811

Name:
2-(4-((2-(3-Bromophenyl)-4,5-diphenyl-1H-imidazol-1-yl)methyl)-1H-1,2,3-triShow More⌵

Mol. Formula:
C34H29BrN6O2

M.W.:
633.55

Type:
Small molecule

AlogP:
7.32

Polar Surface Area:
86.86

HBA:
7

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA3936073

Name:
2-(4-((2-(3-Fluorophenyl)-4,5-diphenyl-1H-imidazol-1-yl)methyl)-1H-1,2,3-trShow More⌵

Mol. Formula:
C33H27FN6O

M.W.:
542.62

Type:
Small molecule

AlogP:
6.61

Polar Surface Area:
77.63

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA3928380

Name:
2-(4-((4,5-Diphenyl-2-(3,4,5-trimethoxyphenyl)-1H-imidazol-1-yl)methyl)-1H-Show More⌵

Mol. Formula:
C36H34N6O4

M.W.:
614.71

Type:
Small molecule

AlogP:
6.50

Polar Surface Area:
105.32

HBA:
9

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA3924165

Name:
2-(4-((2-(4-Bromophenyl)-4,5-diphenyl-1H-imidazol-1-yl)methyl)-1H-1,2,3-triShow More⌵

Mol. Formula:
C32H24BrFN6O

M.W.:
607.49

Type:
Small molecule

AlogP:
7.06

Polar Surface Area:
77.63

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA3923085

Name:
2-(4-((4,5-Diphenyl-2-(thiophen-2-yl)-1H-imidazol-1-yl)methyl)-1H-1,2,3-triShow More⌵

Mol. Formula:
C31H26N6O2S

M.W.:
546.66

Type:
Small molecule

AlogP:
6.23

Polar Surface Area:
86.86

HBA:
8

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA3919478

Name:
N-(2-Ethoxyphenyl)-2-(4-((2-(2-fluorophenyl)-4,5-diphenyl-1H-imidazol-1-yl)Show More⌵

Mol. Formula:
C34H29FN6O2

M.W.:
572.64

Type:
Small molecule

AlogP:
6.70

Polar Surface Area:
86.86

HBA:
7

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA3910543

Name:
2-(4-((2-(2-Methoxyphenyl)-4,5-diphenyl-1H-imidazol-1-yl)methyl)-1H-1,2,3-tShow More⌵

Mol. Formula:
C34H30N6O2

M.W.:
554.65

Type:
Small molecule

AlogP:
6.48

Polar Surface Area:
86.86

HBA:
7

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA3906188

Name:
2-(4-((2-(3-Chlorophenyl)-4,5-diphenyl-1H-imidazol-1-yl)methyl)-1H-1,2,3-trShow More⌵

Mol. Formula:
C34H29ClN6O2

M.W.:
589.10

Type:
Small molecule

AlogP:
7.21

Polar Surface Area:
86.86

HBA:
7

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA3901489

Name:
Methyl 4-(1-((1-(2-((4-ethoxyphenyl)amino)-2-oxoethyl)-1H-1,2,3-triazol-4-yShow More⌵

Mol. Formula:
C36H32N6O4

M.W.:
612.69

Type:
Small molecule

AlogP:
6.35

Polar Surface Area:
113.16

HBA:
9

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA3901221

Name:
2-(4-((2-(3-Chlorophenyl)-4,5-diphenyl-1H-imidazol-1-yl)methyl)-1H-1,2,3-trShow More⌵

Mol. Formula:
C33H27ClN6O2

M.W.:
575.07

Type:
Small molecule

AlogP:
6.82

Polar Surface Area:
86.86

HBA:
7

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA3900431

Name:
N-(2,4-Dichlorophenyl)-2-(4-((2-(4-fluorophenyl)-4,5-diphenyl-1H-imidazol-1Show More⌵

Mol. Formula:
C32H23Cl2FN6O

M.W.:
597.48

Type:
Small molecule

AlogP:
7.61

Polar Surface Area:
77.63

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA3896149

Name:
N-(2,4-Dimethylphenyl)-2-(4-((2-(3-fluorophenyl)-4,5-diphenyl-1H-imidazol-1Show More⌵

Mol. Formula:
C34H29FN6O

M.W.:
556.65

Type:
Small molecule

AlogP:
6.92

Polar Surface Area:
77.63

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA3891396

Name:
2-(4-((2-(3-Bromophenyl)-4,5-diphenyl-1H-imidazol-1-yl)methyl)-1H-1,2,3-triShow More⌵

Mol. Formula:
C34H29BrN6O2

M.W.:
633.55

5 activity values

Type:
Small molecule

AlogP:
7.32

Polar Surface Area:
86.86

HBA:
7

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA3601516

Name:
Ganoderlactone B

Mol. Formula:
C27H34O6

M.W.:
454.56

Type:
Small molecule

AlogP:
3.94

Polar Surface Area:
94.58

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA3601515

Name:
Ganodernoid A

Mol. Formula:
C25H32O6

M.W.:
428.53