Compounds

Type:
Small molecule

AlogP:
0.41

Polar Surface Area:
82.82

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4294159

Name:
3,5-dimethyl-1-((2-(4-methylthiazole-5-carboxamido)thiazol-4-yl)methyl)pipeShow More⌵

Mol. Formula:
C16H22N4OS2

M.W.:
350.51

Type:
Small molecule

AlogP:
3.64

Polar Surface Area:
58.12

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.91

DETAILS

ALA4294000

Name:
ethyl 5-(N-(1,4-dimethyl-7-morpholino-2,3-dioxo-1,2,3,4-tetrahydroquinoxaliShow More⌵

Mol. Formula:
C26H28N4O8S

M.W.:
556.60

Type:
Small molecule

AlogP:
2.11

Polar Surface Area:
142.08

HBA:
11

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA4293809

Name:
5-chloro-N-(1,4-dimethyl-2,3-dioxo-7-(piperidin-1-yl)-1,2,3,4-tetrahydroquiShow More⌵

Mol. Formula:
C22H25ClN4O5S

M.W.:
492.99

Type:
Small molecule

AlogP:
2.69

Polar Surface Area:
102.64

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4293606

Name:
1-((2-(3-cyclopropyl-1H-pyrazole-4-carboxamido)thiazol-4-yl)methyl)-3-methyShow More⌵

Mol. Formula:
C17H23N5OS

M.W.:
345.47

Type:
Small molecule

AlogP:
3.23

Polar Surface Area:
73.91

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA4292834

Name:
N-(1,4-dimethyl-2,3-dioxo-7-(pyrrolidin-1-yl)-1,2,3,4-tetrahydroquinoxalin-Show More⌵

Mol. Formula:
C24H30N4O4S

M.W.:
470.60

Type:
Small molecule

AlogP:
2.84

Polar Surface Area:
93.41

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4292561

Name:
2,4-dimethyl-N-(4-(piperidin-1-yl)phenyl)thiazole-5-carboxamide

Mol. Formula:
C17H21N3OS

M.W.:
315.44

Type:
Small molecule

AlogP:
4.00

Polar Surface Area:
45.23

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.93

DETAILS

ALA4292260

Name:
N-(4-(2-fluoro-5-methoxyphenyl)thiazol-2-yl)-2,4-dimethyloxazole-5-carboxamShow More⌵

Mol. Formula:
C16H14FN3O3S

M.W.:
347.37

Type:
Small molecule

AlogP:
3.81

Polar Surface Area:
77.25

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4292145

Name:
1-((2-(5-isopropylisoxazole-3-carboxamido)thiazol-4-yl)methyl)piperidinium

Mol. Formula:
C16H22N4O2S

M.W.:
334.44

Type:
Small molecule

AlogP:
3.49

Polar Surface Area:
71.26

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.91

DETAILS

ALA4292107

Name:
N-(2-((1H-pyrazol-1-yl)methyl)benzyl)-1-ethyl-3-methyl-2-oxo-1,2-dihydroquiShow More⌵

Mol. Formula:
C23H23N5O2

M.W.:
401.47

Type:
Small molecule

AlogP:
2.90

Polar Surface Area:
81.81

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4291947

Name:
N-((1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl)-1-ethyl-2,3-dioxo-1,2,3,4Show More⌵

Mol. Formula:
C24H25N5O3

M.W.:
431.50

Type:
Small molecule

AlogP:
2.50

Polar Surface Area:
101.78

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4291009

Name:
2,6-difluoro-N-(7-(4-methoxyphenoxy)-1,4-dimethyl-2,3-dioxo-1,2,3,4-tetrahyShow More⌵

Mol. Formula:
C24H19F2N3O5

M.W.:
467.43

Type:
Small molecule

AlogP:
3.57

Polar Surface Area:
91.56

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4290863

Name:
1-ethyl-N-(1-(1-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl)ethyl)-2,3-dioxo-Show More⌵

Mol. Formula:
C23H22FN5O3

M.W.:
435.46

Type:
Small molecule

AlogP:
2.83

Polar Surface Area:
101.78

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4290677

Name:
2-(1-(1,4-dimethyl-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-6-ylsulfonyl)pyrrShow More⌵

Mol. Formula:
C24H28N4O5S

M.W.:
484.58

Type:
Small molecule

AlogP:
1.98

Polar Surface Area:
110.48

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4290403

Name:
N-(4-(N-(1,4-dimethyl-2,3-dioxo-7-(piperidin-1-yl)-1,2,3,4-tetrahydroquinoxShow More⌵

Mol. Formula:
C26H33N5O5S

M.W.:
527.65

Type:
Small molecule

AlogP:
3.01

Polar Surface Area:
122.51

HBA:
8

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4290267

Name:
1-ethyl-N-(2-(2-methyl-1H-benzo[d]imidazol-1-yl)ethyl)-2,3-dioxo-1,2,3,4-teShow More⌵

Mol. Formula:
C21H21N5O3

M.W.:
391.43

Type:
Small molecule

AlogP:
1.80

Polar Surface Area:
101.78

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4290220

Name:
4-((2-(2,4-dimethyl-6-oxo-1,6-dihydropyrimidine-5-carboxamido)thiazol-4-yl)Show More⌵

Mol. Formula:
C17H23N5O3S

M.W.:
377.47

Type:
Small molecule

AlogP:
1.70

Polar Surface Area:
100.21

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA4289781

Name:
1-ethyl-N-(1-(5-methyl-1-p-tolyl-1H-pyrazol-4-yl)ethyl)-2,3-dioxo-1,2,3,4-tShow More⌵

Mol. Formula:
C24H25N5O3

M.W.:
431.50

Type:
Small molecule

AlogP:
3.00

Polar Surface Area:
101.78

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4289527

Name:
N-(7-(diethylamino)-1,4-dimethyl-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-6-yShow More⌵

Mol. Formula:
C22H26N4O4

M.W.:
410.47

Type:
Small molecule

AlogP:
2.34

Polar Surface Area:
85.57

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA4289326

Name:
5-chloro-N-(1,4-dimethyl-7-morpholino-2,3-dioxo-1,2,3,4-tetrahydroquinoxaliShow More⌵

Mol. Formula:
C21H23ClN4O6S

M.W.:
494.96

6 activity values