Compounds

ALA5198642

Name:
3-cyano-2-(1-methyl-1H-pyrazole-4-carboxamido)-N-phenyl-4,7-dihydrothieno[2Show More⌵

Mol. Formula:
C20H18N6O2S

M.W.:
406.47

1 activity values

1 unique targets

Type:
---

AlogP:
3.20

Polar Surface Area:
103.05

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA5196232

Name:
2-(3-Chlorophenyl)carbonylamino-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzo[b]Show More⌵

Mol. Formula:
C17H15ClN2OS

M.W.:
330.84

1 activity values

1 unique targets

Type:
---

AlogP:
4.65

Polar Surface Area:
52.89

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA5205930

Name:
N-(3-cyano-6-(oxazole-4-carbonyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-Show More⌵

Mol. Formula:
C17H14N6O3S

M.W.:
382.41

1 activity values

1 unique targets

Type:
---

AlogP:
1.79

Polar Surface Area:
117.05

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA5205917

Name:
2-(1-Methyl-5-1H-pyrazolyl)carbonylamino-3-cyano-6-methyl-4,5,6,7-tetrahydrShow More⌵

Mol. Formula:
C15H16N4OS

M.W.:
300.39

1 activity values

1 unique targets

Type:
---

AlogP:
2.73

Polar Surface Area:
70.71

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.93

DETAILS

ALA5205115

Name:
3-cyano-2-(1-methyl-1H-pyrazole-4-carboxamido)-N-phenethyl-4,7-dihydrothienShow More⌵

Mol. Formula:
C22H22N6O2S

M.W.:
434.53

1 activity values

1 unique targets

Type:
---

AlogP:
2.92

Polar Surface Area:
103.05

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA5204996

Name:
N-(3-cyano-6-(3-methoxybenzofuran-2-carbonyl)-4,5,6,7-tetrahydrothieno[2,3-Show More⌵

Mol. Formula:
C23H19N5O4S

M.W.:
461.50

1 activity values

1 unique targets

Type:
---

AlogP:
3.56

Polar Surface Area:
113.39

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA5204995

Name:
N-(6-(5-chlorofuran-2-carbonyl)-3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyriShow More⌵

Mol. Formula:
C18H14ClN5O3S

M.W.:
415.86

1 activity values

1 unique targets

Type:
---

AlogP:
3.05

Polar Surface Area:
104.16

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA5204232

Name:
3-cyano-2-(1-methyl-1H-pyrazole-4-carboxamido)-N-(pyridin-2-yl)-4,7-dihydroShow More⌵

Mol. Formula:
C19H17N7O2S

M.W.:
407.46

5 activity values

5 unique targets

Type:
---

AlogP:
2.59

Polar Surface Area:
115.94

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA5204076

Name:
N-(3-cyano-6-(1-methyl-1H-pyrazole-5-carbonyl)-4,5,6,7-tetrahydrothieno[2,3Show More⌵

Mol. Formula:
C18H17N7O2S

M.W.:
395.45

1 activity values

1 unique targets

Type:
---

AlogP:
1.54

Polar Surface Area:
108.84

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA5202113

Name:
2-(4-Pyrimidinylcarbonylamino)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzo[b]tShow More⌵

Mol. Formula:
C15H14N4OS

M.W.:
298.37

1 activity values

1 unique targets

Type:
---

AlogP:
2.79

Polar Surface Area:
78.67

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.92

DETAILS

ALA5201403

Name:
N-(4-bromophenyl)-3-cyano-2-(1-methyl-1H-pyrazole-4-carboxamido)-4,7-dihydrShow More⌵

Mol. Formula:
C20H17BrN6O2S

M.W.:
485.37

1 activity values

1 unique targets

Type:
---

AlogP:
3.96

Polar Surface Area:
103.05

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA5200579

Name:
2-(1-Methyl-4-1H-pyrazolyl)carbonylamino-3-cyano-6-methyl-4,5,6,7-tetrahydrShow More⌵

Mol. Formula:
C15H16N4OS

M.W.:
300.39

1 activity values

1 unique targets

Type:
---

AlogP:
2.73

Polar Surface Area:
70.71

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.93

DETAILS

ALA5200555

Name:
2-Benzoylamino-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene

Mol. Formula:
C17H16N2OS

M.W.:
296.40

1 activity values

1 unique targets

Type:
---

AlogP:
4.00

Polar Surface Area:
52.89

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.91

DETAILS

ALA5199357

Name:
2-(3-Bromophenyl)carbonylamino-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzo[b]tShow More⌵

Mol. Formula:
C17H15BrN2OS

M.W.:
375.29

1 activity values

1 unique targets

Type:
---

AlogP:
4.76

Polar Surface Area:
52.89

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA5208089

Name:
2-(4-Thiazolylcarbonylamino)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiShow More⌵

Mol. Formula:
C14H13N3OS2

M.W.:
303.41

1 activity values

1 unique targets

Type:
---

AlogP:
3.45

Polar Surface Area:
65.78

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.92

DETAILS

ALA5207311

Name:
2-(3-Fluorophenyl)carbonylamino-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzo[b]Show More⌵

Mol. Formula:
C17H15FN2OS

M.W.:
314.39

1 activity values

1 unique targets

Type:
---

AlogP:
4.14

Polar Surface Area:
52.89

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.91

DETAILS

ALA5206545

Name:
3-cyano-2-(1-methyl-1H-pyrazole-4-carboxamido)-N-(4-phenylbutyl)-4,7-dihydrShow More⌵

Mol. Formula:
C24H26N6O2S

M.W.:
462.58

1 activity values

1 unique targets

Type:
---

AlogP:
3.70

Polar Surface Area:
103.05

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5193771

Name:
N-(3-cyano-6-(1-methyl-1H-pyrazole-3-carbonyl)-4,5,6,7-tetrahydrothieno[2,3Show More⌵

Mol. Formula:
C18H17N7O2S

M.W.:
395.45

1 activity values

1 unique targets

Type:
---

AlogP:
1.54

Polar Surface Area:
108.84

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA5192667

Name:
N-(3-cyano-6-(1-methyl-1H-pyrazole-4-carbonyl)-4,5,6,7-tetrahydrothieno[2,3Show More⌵

Mol. Formula:
C18H17N7O2S

M.W.:
395.45

1 activity values

1 unique targets

Type:
---

AlogP:
1.54

Polar Surface Area:
108.84

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA5191548

Name:
N-benzyl-3-cyano-2-(1-methyl-1H-pyrazole-4-carboxamido)-4,7-dihydrothieno[2Show More⌵

Mol. Formula:
C21H20N6O2S

M.W.:
420.50

1 activity values

1 unique targets

Type:
---

AlogP:
2.87

Polar Surface Area:
103.05

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.68

DETAILS