Compounds

ALA2376329

Name:
rac-3-ethyl-N-(4-methoxyphenyl)-3-methyl-2,5-dioxo-2,3,4,5-tetrahydro-1H-beShow More⌵

Mol. Formula:
C19H21N3O5S

M.W.:
403.46

14 activity values

11 unique targets

Type:
Small molecule

AlogP:
2.35

Polar Surface Area:
113.60

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA2376327

Name:
rac-N-(2-chlorophenyl)-3-ethyl-3-methyl-2,5-dioxo-2,3,4,5-tetrahydro-1H-benShow More⌵

Mol. Formula:
C18H18ClN3O4S

M.W.:
407.88

13 activity values

10 unique targets

Type:
Small molecule

AlogP:
2.99

Polar Surface Area:
104.37

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA2376325

Name:
rac-N-(4-chlorophenyl)-3-ethyl-3-methyl-2,5-dioxo-2,3,4,5-tetrahydro-1H-benShow More⌵

Mol. Formula:
C18H18ClN3O4S

M.W.:
407.88

16 activity values

12 unique targets

Type:
Small molecule

AlogP:
2.99

Polar Surface Area:
104.37

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA2376322

Name:
rac-3-ethyl-3-methyl-2,5-dioxo-N-phenyl-2,3,4,5-tetrahydro-1H-benzo[e][1,4]Show More⌵

Mol. Formula:
C18H19N3O4S

M.W.:
373.43

15 activity values

12 unique targets

Type:
Small molecule

AlogP:
2.34

Polar Surface Area:
104.37

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA2376321

Name:
(S)-N-(4-(difluoromethoxy)phenyl)-3-ethyl-3-methyl-2,5-dioxo-2,3,4,5-tetrahShow More⌵

Mol. Formula:
C19H19F2N3O5S

M.W.:
439.44

15 activity values

13 unique targets

Type:
Small molecule

AlogP:
2.94

Polar Surface Area:
113.60

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA2376320

Name:
(S)-3-ethyl-3-methyl-2,5-dioxo-N-(4-(trifluoromethyl)phenyl)-2,3,4,5-tetrahShow More⌵

Mol. Formula:
C19H18F3N3O4S

M.W.:
441.43

12 activity values

10 unique targets

Type:
Small molecule

AlogP:
3.36

Polar Surface Area:
104.37

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA2376316

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

Mol. Formula:
C19H21F2N3O3S

M.W.:
409.46

11 activity values

9 unique targets

Type:
Small molecule

AlogP:
3.48

Polar Surface Area:
87.30

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA2376313

Name:
rac-N-(2,4-difluorophenyl)-3-ethyl-3,4-dimethyl-2,5-dioxo-2,3,4,5-tetrahydrShow More⌵

Mol. Formula:
C19H19F2N3O4S

M.W.:
423.44

11 activity values

10 unique targets

Type:
Small molecule

AlogP:
2.96

Polar Surface Area:
95.58

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA2376312

Name:
rac-N-(4-chlorophenyl)-3-ethyl-1,3-dimethyl-2,5-dioxo-2,3,4,5-tetrahydro-1HShow More⌵

Mol. Formula:
C19H20ClN3O4S

M.W.:
421.91

12 activity values

11 unique targets

Type:
Small molecule

AlogP:
3.02

Polar Surface Area:
95.58

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA2376311

Name:
rac-3-ethyl-N,3-dimethyl-2,5-dioxo-N-phenyl-2,3,4,5-tetrahydro-1H-benzo[e][Show More⌵

Mol. Formula:
C19H21N3O4S

M.W.:
387.46

10 activity values

8 unique targets

Type:
Small molecule

AlogP:
2.36

Polar Surface Area:
95.58

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.84

DETAILS