Compounds

ALA4250566

Name:
N-(2,6-Diisopropylphenyl)-6-(oxazolo[5,4-c]pyridin-2-ylthio)-hexanamide

Mol. Formula:
C24H31N3O2S

M.W.:
425.60

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
6.76

Polar Surface Area:
68.02

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA4250104

Name:
N-(2,6-Diisopropylphenyl)-6-((6-((N,N-dimethylamino)-methyl)benzo[d]oxazol-Show More⌵

Mol. Formula:
C28H39N3O2S

M.W.:
481.71

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
7.43

Polar Surface Area:
58.37

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA4249787

Name:
10-(Benzo[d]oxazol-2-ylthio)-N-(2,6-diisopropylphenyl)-decanamide

Mol. Formula:
C29H40N2O2S

M.W.:
480.72

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
8.93

Polar Surface Area:
55.13

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA4249785

Name:
4-(Benzo[d]oxazol-2-ylthio)-N-(2,6-diisopropylphenyl)-butanamide

Mol. Formula:
C23H28N2O2S

M.W.:
396.56

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
6.59

Polar Surface Area:
55.13

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA4249719

Name:
N-(2,6-diisopropylphenyl)-6-((6-methylbenzo[d]oxazol-2-yl)-thio)hexanamide

Mol. Formula:
C26H34N2O2S

M.W.:
438.64

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
7.67

Polar Surface Area:
55.13

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA4249684

Name:
2-((6-((2,6-Diisopropylphenyl)amino)-6-oxohexyl)thio)benzo-[d]oxazole-5-carShow More⌵

Mol. Formula:
C26H32N2O4S

M.W.:
468.62

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
7.06

Polar Surface Area:
92.43

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA4249612

Name:
(S)-1-(5-(4,5-diphenyl-1H-imidazol-2-ylsulfinyl)pentyl)-4,5-dimethyl-1H-pyrShow More⌵

Mol. Formula:
C25H28N4OS

M.W.:
432.59

6 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.54

Polar Surface Area:
69.56

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA4249325

Name:
4-((1H-Benzo[d]imidazol-2-yl)thio)-N-(2,6-diisopropylphenyl)-butanamide

Mol. Formula:
C23H29N3OS

M.W.:
395.57

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
6.32

Polar Surface Area:
57.78

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4249315

Name:
N-(2,6-Diisopropylphenyl)-6-((7-(hydroxymethyl)benzo[d]-oxazol-2-yl)thio)heShow More⌵

Mol. Formula:
C26H34N2O3S

M.W.:
454.64

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
6.86

Polar Surface Area:
75.36

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA4249312

Name:
N-(2,6-Diisopropylphenyl)-6-((4-(hydroxymethyl)benzo[d]-oxazol-2-yl)thio)heShow More⌵

Mol. Formula:
C26H34N2O3S

M.W.:
454.64

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
6.86

Polar Surface Area:
75.36

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA4249269

Name:
N-(2,6-Diisopropylphenyl)-6-((4-(N,N-dimethylamino)benzo-[d]oxazol-2-yl)thiShow More⌵

Mol. Formula:
C27H37N3O2S

M.W.:
467.68

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
7.43

Polar Surface Area:
58.37

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA4249263

Name:
N-(2,6-diisopropylphenyl)-6-((5-(trifluoromethyl)benzo[d]-oxazol-2-yl)thio)Show More⌵

Mol. Formula:
C26H31F3N2O2S

M.W.:
492.61

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
8.38

Polar Surface Area:
55.13

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA4249196

Name:
N-(2,6-Diisopropylphenyl)-6-(oxazolo[4,5-c]pyridin-2-ylthio)-hexanamide

Mol. Formula:
C24H31N3O2S

M.W.:
425.60

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
6.76

Polar Surface Area:
68.02

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA4248950

Name:
9-((1H-Benzo[d]imidazol-2-yl)thio)-N-(2,6-diisopropylphenyl)-nonamide

Mol. Formula:
C28H39N3OS

M.W.:
465.71

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
8.27

Polar Surface Area:
57.78

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA4248936

Name:
8-(Benzo[d]thiazol-2-ylthio)-N-(2,6-diisopropylphenyl)-octanamide

Mol. Formula:
C27H36N2OS2

M.W.:
468.73

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
8.61

Polar Surface Area:
41.99

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA4248482

Name:
5-(Benzo[d]thiazol-2-ylthio)-N-(2,6-diisopropylphenyl)-pentanamide

Mol. Formula:
C24H30N2OS2

M.W.:
426.65

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
7.44

Polar Surface Area:
41.99

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA4248172

Name:
7-(Benzo[d]oxazol-2-ylthio)-N-(2,6-diisopropylphenyl)-heptanamide

Mol. Formula:
C26H34N2O2S

M.W.:
438.64

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
7.76

Polar Surface Area:
55.13

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA4247160

Name:
2-(Benzo[d]oxazol-2-ylthio)-N-(2,6-diisopropylphenyl)acetamide

Mol. Formula:
C21H24N2O2S

M.W.:
368.50

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.81

Polar Surface Area:
55.13

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4246755

Name:
N-(2,6-Diisopropylphenyl)-6-(oxazolo[4,5-b]pyridin-2-ylthio)-hexanamide

Mol. Formula:
C24H31N3O2S

M.W.:
425.60

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
6.76

Polar Surface Area:
68.02

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA4245998

Name:
7-((1H-Benzo[d]imidazol-2-yl)thio)-N-(2,6-diisopropylphenyl)-heptanamide

Mol. Formula:
C26H35N3OS

M.W.:
437.65

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
7.49

Polar Surface Area:
57.78

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.24

DETAILS