Compounds

Type:
Unknown

AlogP:
4.93

Polar Surface Area:
37.19

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4471476

Name:
(R)-3-(4-(5-(4-(fluoromethyl)phenyl)thiophen-2-yl)-1H-1,2,3-triazol-1-yl)quShow More⌵

Mol. Formula:
C20H21FN4S

M.W.:
368.48

6 activity values

Type:
Unknown

AlogP:
4.41

Polar Surface Area:
33.95

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4468363

Name:
6-chloro-N-quinuclidin-3-yl-imidazo[1,2-a]pyridine-8-carboxamide

Mol. Formula:
C15H17ClN4O

M.W.:
304.78

2 activity values

1 unique targets

Type:
Unknown

AlogP:
1.81

Polar Surface Area:
49.64

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.92

DETAILS

ALA4458163

Name:
(R)-3-(4-(5-(6-Fluoropyridin-3-yl)thiophen-2-yl)-1H-1,2,3-triazol-1-yl)quinShow More⌵

Mol. Formula:
C18H18FN5S

M.W.:
355.44

7 activity values

Type:
Unknown

AlogP:
3.47

Polar Surface Area:
46.84

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4282117

Name:
N-(2-(1H-indol-3-yl)ethyl)-1-benzoylpiperidine-4-carboxamide

Mol. Formula:
C23H25N3O2

M.W.:
375.47

7 activity values

7 unique targets

Type:
Small molecule

AlogP:
3.38

Polar Surface Area:
65.20

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4225157

Name:
2-(4-(1-benzylpiperidin-4-yl)butylamino)-6-(prop-2-ynylamino)pyridine-3,5-dShow More⌵

Mol. Formula:
C26H30N6

M.W.:
426.57

10 activity values

10 unique targets

Type:
Small molecule

AlogP:
4.36

Polar Surface Area:
87.77

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4218598

Name:
(R)-5-chloro-3H-1'-azaspiro[benzo[4,5]imidazo[2,1-b]oxazole-2,3'-bicyclo[2.Show More⌵

Mol. Formula:
C15H16ClN3O

M.W.:
289.77

Type:
Small molecule

AlogP:
2.55

Polar Surface Area:
30.29

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4218050

Name:
(R)-6-chloro-3H-1'-azaspiro[benzo[4,5]imidazo[2,1-b]oxazole-2,3'-bicyclo[2.Show More⌵

Mol. Formula:
C15H16ClN3O

M.W.:
289.77

Type:
Small molecule

AlogP:
2.55

Polar Surface Area:
30.29

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4215131

Name:
(R)-3H-1'-Azaspiro[benzo[4,5]imidazo[2,1-b]oxazole-2,3'-bicyclo[2.2.2]octanShow More⌵

Mol. Formula:
C15H17N3O

M.W.:
255.32

6 activity values

Type:
Small molecule

AlogP:
1.89

Polar Surface Area:
30.29

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4214778

Name:
(R)-7-(Trifluoromethyl)-3H-1'-azaspiro[benzo[4,5]imidazo[2,1-b]oxazole-2,3'Show More⌵

Mol. Formula:
C16H16F3N3O

M.W.:
323.32

Type:
Small molecule

AlogP:
2.91

Polar Surface Area:
30.29

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4213665

Name:
(S)-3H-1'-azaspiro[benzo[4,5]imidazo[2,1-b]oxazole-2,3'-bicyclo[2.2.2]octanShow More⌵

Mol. Formula:
C15H17N3O

M.W.:
255.32

Type:
Small molecule

AlogP:
1.89

Polar Surface Area:
30.29

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4209782

Name:
(R)-6-methyl-3H-1'-azaspiro[benzo[4,5]imidazo[2,1-b]oxazole-2,3'-bicyclo[2.Show More⌵

Mol. Formula:
C16H19N3O

M.W.:
269.35

Type:
Small molecule

AlogP:
2.20

Polar Surface Area:
30.29

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4207475

Name:
(R)-7-methyl-3H-1'-azaspiro[benzo[4,5]imidazo[2,1-b]oxazole-2,3'-bicyclo[2.Show More⌵

Mol. Formula:
C16H19N3O

M.W.:
269.35

Type:
Small molecule

AlogP:
2.20

Polar Surface Area:
30.29

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4206339

Name:
(R)-7-chloro-3H-1'-azaspiro[benzo[4,5]imidazo[2,1-b]oxazole-2,3'-bicyclo[2.Show More⌵

Mol. Formula:
C15H16ClN3O

M.W.:
289.77

Type:
Small molecule

AlogP:
2.55

Polar Surface Area:
30.29

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4204902

Name:
(R)-8-Chloro-3H-1'-azaspiro[benzo[4,5]imidazo[2,1-b]oxazole-2,3'-bicyclo[2.Show More⌵

Mol. Formula:
C15H16ClN3O

M.W.:
289.77

Type:
Small molecule

AlogP:
2.55

Polar Surface Area:
30.29

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4203125

Name:
(R)-6-(trifluroromethyl)-3H-1'-azaspiro[benzo[4,5]imidazo[2,1-b]oxazole-2,3Show More⌵

Mol. Formula:
C16H16F3N3O

M.W.:
323.32

Type:
Small molecule

AlogP:
2.91

Polar Surface Area:
30.29

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4202588

Name:
(R)-8-Methyl-3H-1'-azaspiro[benzo[4,5]imidazo[2,1-b]oxazole-2,3'-bicyclo[2.Show More⌵

Mol. Formula:
C16H19N3O

M.W.:
269.35