Compounds

ALA4879060

Name:
Rac-6-(4-hydroxyphenyl)-2-oxo-4-p-tolyl-6-(trifluoromethyl)-1,2,5,6-tetrahyShow More⌵

Mol. Formula:
C20H15F3N2O2

M.W.:
372.35

4 activity values

3 unique targets

Type:
Unknown

AlogP:
3.96

Polar Surface Area:
73.12

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA4879045

Name:
Rac-6-methyl-2-oxo-4,6-dip-tolyl-1,2,5,6-tetrahydropyridine-3-carbonitrile

Mol. Formula:
C21H20N2O

M.W.:
316.40

4 activity values

3 unique targets

Type:
Unknown

AlogP:
4.02

Polar Surface Area:
52.89

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.91

DETAILS

ALA4878608

Name:
(S)-4-(4-methyl-3-(1H-tetrazol-5-yl)phenyl)-6-(trifluoromethyl)-6-(4-(5,5,5Show More⌵

Mol. Formula:
C25H23F6N5O2

M.W.:
539.48

4 activity values

3 unique targets

Type:
Unknown

AlogP:
5.51

Polar Surface Area:
92.79

HBA:
5

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA4878564

Name:
(S)-4-(4-methyl-3-(1H-tetrazol-5-yl)phenyl)-6-(4-(6,6,6-trifluorohexyloxy)pShow More⌵

Mol. Formula:
C26H25F6N5O2

M.W.:
553.51

33 activity values

14 unique targets

Type:
Unknown

AlogP:
5.90

Polar Surface Area:
92.79

HBA:
5

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA4875367

Name:
(S)-6-(2-fluoro-4-(4,4,4-trifluorobutoxy)phenyl)-4-(4-methyl-3-(1H-tetrazolShow More⌵

Mol. Formula:
C24H20F7N5O2

M.W.:
543.44

4 activity values

3 unique targets

Type:
Unknown

AlogP:
5.26

Polar Surface Area:
92.79

HBA:
5

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA4873883

Name:
(S)-6-(3-fluoro-4-(6,6,6-trifluorohexyloxy)phenyl)-4-(4-methyl-3-(1H-tetrazShow More⌵

Mol. Formula:
C26H24F7N5O2

M.W.:
571.50

4 activity values

3 unique targets

Type:
Unknown

AlogP:
6.04

Polar Surface Area:
92.79

HBA:
5

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA4873488

Name:
(S)-2-methyl-N-(1-methyl-1H-pyrazol-3-yl)-5-(6-oxo-2-(4-(4,4,4-trifluorobutShow More⌵

Mol. Formula:
C28H26F6N4O3

M.W.:
580.53

4 activity values

3 unique targets

Type:
Unknown

AlogP:
5.82

Polar Surface Area:
85.25

HBA:
5

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA4872517

Name:
(S)-N-(5-methoxypyrazin-2-yl)-2-methyl-5-(6-oxo-2-(4-(4,4,4-trifluorobutoxyShow More⌵

Mol. Formula:
C29H26F6N4O4

M.W.:
608.54

4 activity values

3 unique targets

Type:
Unknown

AlogP:
5.88

Polar Surface Area:
102.44

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA4872367

Name:
(S)-6-(3-fluoro-4-(4,4,4-trifluorobutoxy)phenyl)-4-(4-methyl-3-(1H-tetrazolShow More⌵

Mol. Formula:
C24H20F7N5O2

M.W.:
543.44

4 activity values

3 unique targets

Type:
Unknown

AlogP:
5.26

Polar Surface Area:
92.79

HBA:
5

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA4872250

Name:
(S)-N-(6-methoxypyridin-3-yl)-2-methyl-5-(6-oxo-2-(4-(4,4,4-trifluorobutoxyShow More⌵

Mol. Formula:
C30H27F6N3O4

M.W.:
607.55

4 activity values

3 unique targets

Type:
Unknown

AlogP:
6.49

Polar Surface Area:
89.55

HBA:
5

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA4869735

Name:
(S)-4-(4-methyl-3-(1H-tetrazol-5-yl)phenyl)-6-(trifluoromethyl)-6-(4-(3,3,3Show More⌵

Mol. Formula:
C23H19F6N5O2

M.W.:
511.43

4 activity values

3 unique targets

Type:
Unknown

AlogP:
4.73

Polar Surface Area:
92.79

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4869579

Name:
Rac-2-oxo-4-o-tolyl-6-(4-(4,4,4-trifluorobutoxy)phenyl)-6-(trifluoromethyl)Show More⌵

Mol. Formula:
C24H20F6N2O2

M.W.:
482.42

2 activity values

2 unique targets

Type:
Unknown

AlogP:
5.97

Polar Surface Area:
62.12

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4869563

Name:
(S)-6-(2-fluoro-4-(6,6,6-trifluorohexyloxy)phenyl)-4-(4-methyl-3-(1H-tetrazShow More⌵

Mol. Formula:
C26H24F7N5O2

M.W.:
571.50

4 activity values

3 unique targets

Type:
Unknown

AlogP:
6.04

Polar Surface Area:
92.79

HBA:
5

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA4868511

Name:
Rac-6-methyl-2-oxo-6-pentyl-4-p-tolyl-1,2,5,6-tetrahydropyridine-3-carbonitShow More⌵

Mol. Formula:
C19H24N2O

M.W.:
296.41

4 activity values

3 unique targets

Type:
Unknown

AlogP:
4.13

Polar Surface Area:
52.89

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA4868038

Name:
(S)-2-methyl-5-(6-oxo-2-(4-(4,4,4-trifluorobutoxy)phenyl)-2-(trifluoromethyShow More⌵

Mol. Formula:
C31H25F9N2O4

M.W.:
660.53

4 activity values

3 unique targets

Type:
Unknown

AlogP:
7.98

Polar Surface Area:
76.66

HBA:
4

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA4865861

Name:
(S)-N-cyclopropyl-2-methyl-5-(6-oxo-2-(4-(4,4,4-trifluorobutoxy)phenyl)-2-(Show More⌵

Mol. Formula:
C27H26F6N2O3

M.W.:
540.50

4 activity values

3 unique targets

Type:
Unknown

AlogP:
5.73

Polar Surface Area:
67.43

HBA:
3

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA4865613

Name:
(S)-N-(6-methoxypyridazin-3-yl)-2-methyl-5-(6-oxo-2-(4-(4,4,4-trifluorobutoShow More⌵

Mol. Formula:
C29H26F6N4O4

M.W.:
608.54

4 activity values

3 unique targets

Type:
Unknown

AlogP:
5.88

Polar Surface Area:
102.44

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA4864768

Name:
(S)-N-cyclohexyl-2-methyl-5-(6-oxo-2-(4-(4,4,4-trifluorobutoxy)phenyl)-2-(tShow More⌵

Mol. Formula:
C30H32F6N2O3

M.W.:
582.58

4 activity values

3 unique targets

Type:
Unknown

AlogP:
6.90

Polar Surface Area:
67.43

HBA:
3

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA4864008

Name:
Rac-2-oxo-4-m-tolyl-6-(4-(4,4,4-trifluorobutoxy)phenyl)-6-(trifluoromethyl)Show More⌵

Mol. Formula:
C24H20F6N2O2

M.W.:
482.42

5 activity values

3 unique targets

Type:
Unknown

AlogP:
5.97

Polar Surface Area:
62.12

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4863703

Name:
(S)-N,2-dimethyl-5-(6-oxo-2-(4-(4,4,4-trifluorobutoxy)phenyl)-2-(trifluoromShow More⌵

Mol. Formula:
C25H24F6N2O3

M.W.:
514.47

4 activity values

3 unique targets

Type:
Unknown

AlogP:
5.19

Polar Surface Area:
67.43

HBA:
3

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.30

DETAILS