Compounds

Type:
Unknown

AlogP:
1.53

Polar Surface Area:
113.68

HBA:
9

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4586813

Name:
8-(3-hydroxy-2-(tetrazolo[1,5-a]quinolin-7-yl)propyl)-2-(4-methyl-5-oxo-2,5Show More⌵

Mol. Formula:
C25H28N6O4

M.W.:
476.54

Type:
Unknown

AlogP:
1.50

Polar Surface Area:
113.16

HBA:
9

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4456474

Name:
(6S)-6-fluoro-8-((R)-2-hydroxy-2-(5H-tetrazolo[5,1-a]isoindol-7-yl)ethyl)-2Show More⌵

Mol. Formula:
C23H25FN6O4

M.W.:
468.49

Type:
Unknown

AlogP:
0.83

Polar Surface Area:
113.68

HBA:
9

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4456154

Name:
8-(2-(5H-tetrazolo[5,1-a]isoindol-7-yl)ethyl)-2-(4-methyl-5-oxo-2,5-dihydroShow More⌵

Mol. Formula:
C23H26N6O3

M.W.:
434.50

Type:
Unknown

AlogP:
1.39

Polar Surface Area:
93.45

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4456131

Name:
(S)-8-((S)-2-hydroxy-2-(tetrazolo[1,5-a]quinolin-7-yl)ethyl)-3-methyl-2-(5-Show More⌵

Mol. Formula:
C24H26N6O4

M.W.:
462.51

Type:
Unknown

AlogP:
1.45

Polar Surface Area:
113.16

HBA:
9

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA3792410

Name:
(rac)-5-(2-(4-(2-(6-(1H-tetrazol-1-yl)pyridin-3-yl)acetyl)piperazin-1-yl)-1Show More⌵

Mol. Formula:
C23H25N7O5

M.W.:
479.50

Type:
Small molecule

AlogP:
0.16

Polar Surface Area:
135.80

HBA:
11

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA3792808

Name:
(rac)-5-(2-(4-(2-(6-(1H-tetrazol-1-yl)pyridin-3-yl)acetyl)piperazin-1-yl)-1Show More⌵

Mol. Formula:
C24H27N7O4

M.W.:
477.53

Type:
Small molecule

AlogP:
1.11

Polar Surface Area:
115.57

HBA:
10

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA3794233

Name:
(rac)-5-(2-(4-(2-(6-(1H-tetrazol-1-yl)pyridin-3-yl)acetyl)piperazin-1-yl)-1Show More⌵

Mol. Formula:
C23H25N7O4

M.W.:
463.50

Type:
Small molecule

AlogP:
0.46

Polar Surface Area:
126.57

HBA:
10

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA3792978

Name:
(rac)-5-(2-(4-(2-(6-(1H-tetrazol-1-yl)pyridin-3-yl)acetyl)piperazin-1-yl)-1Show More⌵

Mol. Formula:
C23H24FN7O3

M.W.:
465.49

10 activity values

5 unique targets

Type:
Small molecule

AlogP:
1.43

Polar Surface Area:
106.34

HBA:
9

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA3794292

Name:
(rac)-5-(1-(4-(2-(6-(1H-tetrazol-1-yl)pyridin-3-yl)acetyl)piperazin-1-yl)prShow More⌵

Mol. Formula:
C24H27N7O3

M.W.:
461.53

10 activity values

5 unique targets

Type:
Small molecule

AlogP:
1.53

Polar Surface Area:
106.34

HBA:
9

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA3793411

Name:
5-(2-(4-(2-(5-(1H-tetrazol-1-yl)pyridin-3-yl)acetyl)piperazin-1-yl)ethyl)-4Show More⌵

Mol. Formula:
C23H25N7O3

M.W.:
447.50

Type:
Small molecule

AlogP:
0.97

Polar Surface Area:
106.34

HBA:
9

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA3794533

Name:
4-methyl-5-(2-(4-(2-(2-methyl-6-(1H-tetrazol-1-yl)pyridin-3-yl)propanoyl)piShow More⌵

Mol. Formula:
C25H29N7O3

M.W.:
475.55

Type:
Small molecule

AlogP:
1.83

Polar Surface Area:
106.34

HBA:
9

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA3793717

Name:
4-methyl-5-(2-(4-(2-(4-methyl-6-(1H-tetrazol-1-yl)pyridin-3-yl)propanoyl)piShow More⌵

Mol. Formula:
C25H29N7O3

M.W.:
475.55

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.83

Polar Surface Area:
106.34

HBA:
9

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA3793685

Name:
4-methyl-5-(2-(4-(2-(2-methyl-6-(1H-tetrazol-1-yl)pyridin-3-yl)acetyl)piperShow More⌵

Mol. Formula:
C24H27N7O3

M.W.:
461.53

Type:
Small molecule

AlogP:
1.27

Polar Surface Area:
106.34

HBA:
9

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA3792700

Name:
4-methyl-5-(2-(4-(2-(4-methyl-6-(1H-tetrazol-1-yl)pyridin-3-yl)acetyl)piperShow More⌵

Mol. Formula:
C24H27N7O3

M.W.:
461.53

Type:
Small molecule

AlogP:
1.27

Polar Surface Area:
106.34

HBA:
9

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA3793380

Name:
4-methyl-5-(2-(4-(2-(3-methyl-5-(1H-tetrazol-1-yl)pyridin-2-yl)acetyl)piperShow More⌵

Mol. Formula:
C24H27N7O3

M.W.:
461.53

10 activity values

5 unique targets

Type:
Small molecule

AlogP:
1.27

Polar Surface Area:
106.34

HBA:
9

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA3793143

Name:
5-(2-(4-(2-(5-(1H-tetrazol-1-yl)pyrazin-2-yl)acetyl)piperazin-1-yl)ethyl)-4Show More⌵

Mol. Formula:
C22H24N8O3

M.W.:
448.49

Type:
Small molecule

AlogP:
0.36

Polar Surface Area:
119.23

HBA:
10

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA3792966

Name:
5-(2-(4-(2-(5-(1H-tetrazol-1-yl)pyridin-2-yl)acetyl)piperazin-1-yl)ethyl)-4Show More⌵

Mol. Formula:
C23H25N7O3

M.W.:
447.50

Type:
Small molecule

AlogP:
0.97

Polar Surface Area:
106.34

HBA:
9

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA3793037

Name:
6-(2-(4-(2-(4-(1H-tetrazol-1-yl)phenyl)acetyl)piperazin-1-yl)ethyl)furo[3,4Show More⌵

Mol. Formula:
C22H23N7O3

M.W.:
433.47