Compounds

Type:
Small molecule

AlogP:
2.24

Polar Surface Area:
92.40

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4088206

Name:
2-methoxy-N-(7-methoxy-1,3-dimethyl-2-oxo-1,2-dihy
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Mol. Formula:
C19H20N2O5S

M.W.:
388.45

Type:
Small molecule

AlogP:
2.66

Polar Surface Area:
86.63

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4086654

Name:
4-cyano-2-ethoxy-N-(7-methoxy-1,3-dimethyl-2-oxo-1
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Mol. Formula:
C21H21N3O5S

M.W.:
427.48

Type:
Small molecule

AlogP:
2.93

Polar Surface Area:
110.42

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4080511

Name:
4-cyano-N-(3-ethyl-1-methyl-2-oxo-1,2-dihydroquino
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Mol. Formula:
C19H17N3O3S

M.W.:
367.43

5 activity values

Type:
Small molecule

AlogP:
2.77

Polar Surface Area:
91.96

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA4068981

Name:
4-cyano-N-(1,3-dimethyl-2-oxo-1,2-dihydroquinolin-
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Mol. Formula:
C20H19N3O4S

M.W.:
397.46

2 activity values

Type:
Small molecule

AlogP:
2.55

Polar Surface Area:
92.40

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4065903

Name:
4-cyano-N-(7-fluoro-1-methyl-2-oxo-1,2-dihydroquin
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Mol. Formula:
C17H12FN3O3S

M.W.:
357.37

Type:
Small molecule

AlogP:
2.35

Polar Surface Area:
91.96

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4065216

Name:
4-cyano-N-(8-fluoro-1,3-dimethyl-2-oxo-1,2-dihydro
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Mol. Formula:
C18H14FN3O3S

M.W.:
371.39

Type:
Small molecule

AlogP:
2.66

Polar Surface Area:
91.96

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA4086220

Name:
N-(1-methyl-2-oxo-1,2-dihydroquinolin-6-yl)ethanes
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Mol. Formula:
C12H14N2O3S

M.W.:
266.32

2 activity values

Type:
Small molecule

AlogP:
1.30

Polar Surface Area:
68.17

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.91

DETAILS

ALA4085921

Name:
4-cyano-N-(1,3-dimethyl-2-oxo-1,2-dihydroquinolin-
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Mol. Formula:
C22H23N3O4S

M.W.:
425.51

Type:
Small molecule

AlogP:
3.33

Polar Surface Area:
92.40

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA4079434

Name:
4-cyano-N-(7-isopropoxy-1-methyl-2-oxo-1,2-dihydro
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Mol. Formula:
C20H19N3O4S

M.W.:
397.46

Type:
Small molecule

AlogP:
3.00

Polar Surface Area:
101.19

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4064729

Name:
N-(1-methyl-2-oxo-1,2-dihydroquinolin-6-yl)methane
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Mol. Formula:
C11H12N2O3S

M.W.:
252.29

2 activity values

Type:
Small molecule

AlogP:
0.91

Polar Surface Area:
68.17

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA4064386

Name:
4-cyano-N-(1,3-dimethyl-2-oxo-1,2-dihydroquinolin-
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Mol. Formula:
C21H21N3O4S

M.W.:
411.48

Type:
Small molecule

AlogP:
2.94

Polar Surface Area:
92.40

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4295210

Name:
4-(2-(1,4-dimethyl-2,3-dioxo-7-(piperidin-1-yl)-1,
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Mol. Formula:
C22H32N6O3

M.W.:
428.54

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
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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,
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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-
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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)thi
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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,
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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-
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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-d
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Mol. Formula:
C16H14FN3O3S

M.W.:
347.37