Compounds

ALA4588973

Name:
N-[1-[(3,5-dimethylisoxazol-4-yl)methyl]pyrazol-4-yl]-2-hydroxy-benzamide

Mol. Formula:
C16H16N4O3

M.W.:
312.33

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.49

Polar Surface Area:
93.18

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA4579065

Name:
N-[1-[(3,5-dimethylisoxazol-4-yl)methyl]pyrazol-4-yl]-2-methoxy-pyridine-3-Show More⌵

Mol. Formula:
C16H17N5O3

M.W.:
327.34

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.19

Polar Surface Area:
95.07

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA4567380

Name:
N-[1-[(3,5-dimethylisoxazol-4-yl)methyl]pyrazol-4-yl]-4-hydroxy-benzamide

Mol. Formula:
C16H16N4O3

M.W.:
312.33

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.49

Polar Surface Area:
93.18

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA4530528

Name:
1-Benzyl-3-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)imidazoliShow More⌵

Mol. Formula:
C19H21N5O2

M.W.:
351.41

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.98

Polar Surface Area:
67.40

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4526144

Name:
1-Benzyl-3-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)urea

Mol. Formula:
C17H19N5O2

M.W.:
325.37

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.86

Polar Surface Area:
84.98

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA4514970

Name:
3-[1-[(3,5-dimethylisoxazol-4-yl)methyl]pyrazol-4-yl]-1-[(2,5-dimethylpyrazShow More⌵

Mol. Formula:
C18H21N7O3

M.W.:
383.41

1 activity values

1 unique targets

Type:
Unknown

AlogP:
1.55

Polar Surface Area:
102.29

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4471870

Name:
1-benzyl-3-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)imidazoliShow More⌵

Mol. Formula:
C19H17N5O4

M.W.:
379.38

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.03

Polar Surface Area:
101.54

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4469393

Name:
N-(1-((3,5-Dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)-3-hydroxybenzamidShow More⌵

Mol. Formula:
C16H16N4O3

M.W.:
312.33

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.49

Polar Surface Area:
93.18

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA4461460

Name:
N-[1-[(3,5-dimethylisoxazol-4-yl)methyl]pyrazol-4-yl]benzenesulfonamide

Mol. Formula:
C15H16N4O3S

M.W.:
332.39

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.34

Polar Surface Area:
90.02

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA4456506

Name:
N-[1-[(3,5-dimethylisoxazol-4-yl)methyl]pyrazol-4-yl]-5-methoxy-pyridine-3-Show More⌵

Mol. Formula:
C16H17N5O3

M.W.:
327.34

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.19

Polar Surface Area:
95.07

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA4452065

Name:
N-[1-[(3,5-dimethylisoxazol-4-yl)methyl]pyrazol-4-yl]-1H-indole-5-carboxamiShow More⌵

Mol. Formula:
C18H17N5O2

M.W.:
335.37

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.27

Polar Surface Area:
88.74

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4448191

Name:
N-[1-[(3,5-dimethylisoxazol-4-yl)methyl]pyrazol-4-yl]-2-ethylsulfanyl-pyridShow More⌵

Mol. Formula:
C17H19N5O2S

M.W.:
357.44

2 activity values

1 unique targets

Type:
Unknown

AlogP:
3.30

Polar Surface Area:
85.84

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4447100

Name:
N-[1-[(3,5-dimethylisoxazol-4-yl)methyl]pyrazol-4-yl]-6-methoxy-pyridine-2-Show More⌵

Mol. Formula:
C16H17N5O3

M.W.:
327.34

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.19

Polar Surface Area:
95.07

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA4443466

Name:
1-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)-3-phenylurea

Mol. Formula:
C16H17N5O2

M.W.:
311.35

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.18

Polar Surface Area:
84.98

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA4113151

Name:
US9247759, 13-2

Mol. Formula:
C20H19N5O4

M.W.:
393.40

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.14

Polar Surface Area:
104.70

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4112934

Name:
US9247759, 12-37

Mol. Formula:
C20H21N5O3

M.W.:
379.42

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.89

Polar Surface Area:
84.47

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4112920

Name:
US9247759, 4-42

Mol. Formula:
C18H20N4O2

M.W.:
324.38

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.28

Polar Surface Area:
72.95

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4108961

Name:
US9247759, 4-68

Mol. Formula:
C18H20N4O3

M.W.:
340.38

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.86

Polar Surface Area:
82.18

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4108527

Name:
US9247759, 12-7

Mol. Formula:
C20H21N5O4

M.W.:
395.42

6 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.60

Polar Surface Area:
104.70

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4107363

Name:
US9247759, 10-4

Mol. Formula:
C19H19N5O3

M.W.:
365.39

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.20

Polar Surface Area:
93.26

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.70

DETAILS