Compounds

Type:
Unknown

AlogP:
3.36

Polar Surface Area:
98.30

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4878307

Name:
NA

Mol. Formula:
C26H26N8O

M.W.:
466.55

Type:
Unknown

AlogP:
3.38

Polar Surface Area:
119.56

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4877615

Name:
NA

Mol. Formula:
C26H26N8O

M.W.:
466.55

Type:
Unknown

AlogP:
3.38

Polar Surface Area:
119.56

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4877407

Name:
(S)-7-((1-(3-(pyrrolidin-3-yloxy)benzyl)-1H-pyrazo
Show More⌵

Mol. Formula:
C20H22N8O

M.W.:
390.45

Type:
Unknown

AlogP:
1.51

Polar Surface Area:
119.56

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4877383

Name:
NA

Mol. Formula:
C26H26N8O

M.W.:
466.55

Type:
Unknown

AlogP:
3.64

Polar Surface Area:
119.56

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA4877254

Name:
NA

Mol. Formula:
C25H24N8O

M.W.:
452.52

Type:
Unknown

AlogP:
3.60

Polar Surface Area:
119.56

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4871587

Name:
7-((1-(isoquinolin-6-ylmethyl)-1H-pyrazol-3-yl)met
Show More⌵

Mol. Formula:
C19H16N8

M.W.:
356.39

Type:
Unknown

AlogP:
2.32

Polar Surface Area:
111.19

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4869433

Name:
7-((1-(4-fluorophenyl)-1H-pyrazol-3-yl)methyl)-3H-
Show More⌵

Mol. Formula:
C15H12FN7

M.W.:
309.31

Type:
Unknown

AlogP:
1.85

Polar Surface Area:
98.30

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4863595

Name:
NA

Mol. Formula:
C25H30N8O

M.W.:
458.57

Type:
Unknown

AlogP:
3.24

Polar Surface Area:
119.56

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4863015

Name:
7-((1-(biphenyl-3-ylmethyl)-1H-pyrazol-3-yl)methyl
Show More⌵

Mol. Formula:
C22H19N7

M.W.:
381.44

Type:
Unknown

AlogP:
3.44

Polar Surface Area:
98.30

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4859595

Name:
NA

Mol. Formula:
C27H28N8O

M.W.:
480.58

Type:
Unknown

AlogP:
3.43

Polar Surface Area:
119.56

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA4859470

Name:
7-((1-(3-(piperidin-4-yl)benzyl)-1H-pyrazol-3-yl)m
Show More⌵

Mol. Formula:
C21H24N8

M.W.:
388.48

11 activity values

4 unique targets

Type:
Unknown

AlogP:
2.24

Polar Surface Area:
110.33

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4790231

Name:
(R)-7-(1-phenyl-3-((4-phenylbicyclo[2.2.2]octan-1-
Show More⌵

Mol. Formula:
C28H32N6

M.W.:
452.61

11 activity values

5 unique targets

Type:
Unknown

AlogP:
5.09

Polar Surface Area:
92.51

HBA:
5

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4862053

Name:
7-((1-(3-phenoxybenzyl)-1H-pyrazol-3-yl)methyl)-3H
Show More⌵

Mol. Formula:
C22H19N7O

M.W.:
397.44

Type:
Unknown

AlogP:
3.56

Polar Surface Area:
107.53

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4861370

Name:
NA

Mol. Formula:
C30H32N8O

M.W.:
520.64

Type:
Unknown

AlogP:
4.07

Polar Surface Area:
119.56

HBA:
8

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4860429

Name:
7-((1-(3-(isoindolin-4-yloxy)benzyl)-1H-pyrazol-3-
Show More⌵

Mol. Formula:
C24H22N8O

M.W.:
438.50

Type:
Unknown

AlogP:
3.17

Polar Surface Area:
119.56

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4859908

Name:
7-((1-phenyl-1H-pyrazol-3-yl)methyl)-3H-[1,2,3]tri
Show More⌵

Mol. Formula:
C15H13N7

M.W.:
291.32

Type:
Unknown

AlogP:
1.71

Polar Surface Area:
98.30

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4848170

Name:
NA

Mol. Formula:
C25H30N8O

M.W.:
458.57

Type:
Unknown

AlogP:
3.24

Polar Surface Area:
119.56

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4548537

Name:
7-((2,6-Dichlorobenzyl)thio)-3H-[1,2,3]triazolo[4,
Show More⌵

Mol. Formula:
C12H9Cl2N5S

M.W.:
326.21

Type:
Unknown

AlogP:
3.53

Polar Surface Area:
80.48

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4547081

Name:
7-((2-(1H-pyrazol-1-yl)benzyl)oxy)-3H-[1,2,3]triaz
Show More⌵

Mol. Formula:
C15H13N7O

M.W.:
307.32