Compounds

Type:
---

AlogP:
5.58

Polar Surface Area:
47.36

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA5196092

Name:
octyl (2R,3S)-2-(naphthalene-2-sulfonamido)-3-phenylbutanoate

Mol. Formula:
C28H35NO4S

M.W.:
481.66

Type:
---

AlogP:
6.19

Polar Surface Area:
72.47

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA5205988

Name:
1-(4-((2-(4-chlorobenzyl)-5-methyl-1H-benzo[d]imidazol-1-yl)methyl)piperidiShow More⌵

Mol. Formula:
C24H28ClN3O

M.W.:
409.96

4 activity values

3 unique targets

Type:
---

AlogP:
5.24

Polar Surface Area:
38.13

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA5204449

Name:
2-benzyl-5-methyl-1-(piperidin-4-ylmethyl)-1H-benzo[d]imidazole

Mol. Formula:
C21H25N3

M.W.:
319.45

Type:
---

AlogP:
3.94

Polar Surface Area:
29.85

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA5204294

Name:
methyl 4-((2-(4-chlorobenzyl)-5-methyl-1H-benzo[d]imidazol-1-yl)methyl)pipeShow More⌵

Mol. Formula:
C23H26ClN3O2

M.W.:
411.93

4 activity values

3 unique targets

Type:
---

AlogP:
5.07

Polar Surface Area:
47.36

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA5202638

Name:
5-methyl-1-(piperidin-4-ylmethyl)-2-(4-(trifluoromethyl)benzyl)-1H-benzo[d]Show More⌵

Mol. Formula:
C22H24F3N3

M.W.:
387.45

Type:
---

AlogP:
4.95

Polar Surface Area:
29.85

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA5201961

Name:
4-(2-(3-(3-benzamidophenyl)-1H-pyrazol-1-yl)-2-(3-(cyclopropylmethoxy)-4-(dShow More⌵

Mol. Formula:
C34H30F2N4O4

M.W.:
596.63

Type:
---

AlogP:
6.66

Polar Surface Area:
92.32

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA5201385

Name:
tert-butyl 4-((5-methyl-2-(4-(trifluoromethyl)benzyl)-1H-benzo[d]imidazol-1Show More⌵

Mol. Formula:
C27H32F3N3O2

M.W.:
487.57

Type:
---

AlogP:
6.60

Polar Surface Area:
47.36

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA5199426

Name:
2-(2-chloro-7-(4-chlorobenzyl)-6-morpholino-8-oxo-7,8-dihydro-9H-purin-9-ylShow More⌵

Mol. Formula:
C24H22Cl2N6O3

M.W.:
513.39

Type:
---

AlogP:
3.42

Polar Surface Area:
94.28

HBA:
8

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA5207941

Name:
methyl 3-((2-(2,6-difluoro-4-(methylcarbamoyl)phenyl)-5-methyl-1H-benzo[d]iShow More⌵

Mol. Formula:
C24H26F2N4O3

M.W.:
456.49

3 activity values

3 unique targets

Type:
---

AlogP:
4.13

Polar Surface Area:
76.46

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA5207338

Name:
tert-butyl 4-((2-(4-chlorobenzyl)-5-methyl-1H-benzo[d]imidazol-1-yl)methyl)Show More⌵

Mol. Formula:
C26H32ClN3O2

M.W.:
454.01

Type:
---

AlogP:
6.24

Polar Surface Area:
47.36

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA5207245

Name:
methyl (S)-3-((2-(2,6-difluoro-4-(methylcarbamoyl)phenyl)-7-methylimidazo[1Show More⌵

Mol. Formula:
C24H26F2N4O3

M.W.:
456.49

Type:
---

AlogP:
3.97

Polar Surface Area:
75.94

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA5194597

Name:
3-chloro-N-(4-chloro-3-(oxazolo[4,5-b]pyridin-2-yl)phenyl)-4-ethoxybenzamidShow More⌵

Mol. Formula:
C21H15Cl2N3O3

M.W.:
428.28

Type:
---

AlogP:
5.85

Polar Surface Area:
77.25

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA5194075

Name:
4-(3-(cyclohexylamino)-2-((naphthalen-1-yloxy)methyl)prop-1-en-1-yl)-N-((teShow More⌵

Mol. Formula:
C32H38N2O4

M.W.:
514.67

Type:
---

AlogP:
6.41

Polar Surface Area:
68.82

HBA:
5

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA5193198

Name:
N-(3-(1-(3-(2-butyl-5-formyl-6-phenyl-3H-imidazo[4,5-b]pyridin-3-yl)propyl)Show More⌵

Mol. Formula:
C35H43N5O2

M.W.:
565.76

Type:
---

AlogP:
7.12

Polar Surface Area:
80.12

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA5192824

Name:
3-isopropyl-1-(4-methylphenethyl)-2-oxo-2,3,4,5-tetrahydro-1H-benzo[e][1,4]Show More⌵

Mol. Formula:
C26H34N2O3

M.W.:
422.57

Type:
---

AlogP:
4.79

Polar Surface Area:
58.64

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA5191901

Name:
5-((3-chlorophenoxy)methyl)-N-(1-(2-morpholinoethyl)-1H-benzo[d]imidazol-2-Show More⌵

Mol. Formula:
C25H25ClN4O4

M.W.:
480.95

Type:
---

AlogP:
4.45

Polar Surface Area:
81.76

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA5188031

Name:
1-(4-((2-(4-methoxybenzyl)-5-methyl-1H-benzo[d]imidazol-1-yl)methyl)piperidShow More⌵

Mol. Formula:
C25H31N3O2

M.W.:
405.54

Type:
---

AlogP:
4.59

Polar Surface Area:
47.36

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA5187981

Name:
3,5-difluoro-N-methyl-4-(5-methyl-1-(piperidin-3-ylmethyl)-1H-benzo[d]imidaShow More⌵

Mol. Formula:
C22H24F2N4O

M.W.:
398.46

Type:
---

AlogP:
3.65

Polar Surface Area:
58.95

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA5186736

Name:
4-(2,5-dimethyl-3-((2-(naphtho[2,1-b]furan-2-carbonyl)hydrazineylidene)methShow More⌵

Mol. Formula:
C27H21N3O4

M.W.:
451.48