Compounds

Type:
Small molecule

AlogP:
3.62

Polar Surface Area:
20.31

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA338310

Name:
5-(1H-Indol-3-yl)-6-piperidin-1-yl-bicyclo[2.2.2]octan-2-one

Mol. Formula:
C21H26N2O

M.W.:
322.45

Type:
Small molecule

AlogP:
4.11

Polar Surface Area:
36.10

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.90

DETAILS

ALA128329

Name:
5-(1H-Indol-3-yl)-6-pyrrolidin-1-yl-bicyclo[2.2.2]octan-2-one

Mol. Formula:
C20H24N2O

M.W.:
308.43

Type:
Small molecule

AlogP:
3.71

Polar Surface Area:
36.10

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.92

DETAILS

ALA341326

Name:
3-(3-Pyrrolidin-1-yl-bicyclo[2.2.2]oct-5-en-2-yl)-1H-indole

Mol. Formula:
C20H24N2

M.W.:
292.43

Type:
Small molecule

AlogP:
4.31

Polar Surface Area:
19.03

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA339944

Name:
3-(3-Piperidin-1-yl-bicyclo[2.2.2]oct-5-en-2-yl)-1H-indole

Mol. Formula:
C21H26N2

M.W.:
306.45

Type:
Small molecule

AlogP:
4.70

Polar Surface Area:
19.03

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA36645

Name:
4-[9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-15-Show More⌵

Mol. Formula:
C23H23FN2O

M.W.:
362.45

6 activity values

3 unique targets

Type:
Small molecule

AlogP:
5.03

Polar Surface Area:
36.10

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA38309

Name:
1-[9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-15-Show More⌵

Mol. Formula:
C24H25N3

M.W.:
355.49

Type:
Small molecule

AlogP:
5.34

Polar Surface Area:
34.82

HBA:
1

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA289722

Name:
1-[9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-15-Show More⌵

Mol. Formula:
C25H27N3

M.W.:
369.51

Type:
Small molecule

AlogP:
5.73

Polar Surface Area:
34.82

HBA:
1

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA35536

Name:
8-[4-(4-Fluoro-phenyl)-4-oxo-butyl]-8-aza-bicyclo[3.2.1]octan-3-one

Mol. Formula:
C17H20FNO2

M.W.:
289.35

Type:
Small molecule

AlogP:
2.98

Polar Surface Area:
37.38

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA36992

Name:
1-[9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraen-16-yShow More⌵

Mol. Formula:
C24H27FN2

M.W.:
362.49

Type:
Small molecule

AlogP:
5.78

Polar Surface Area:
19.03

HBA:
1

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA430551

Name:
1-(4-fluorophenyl)-4-[9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentaShow More⌵

Mol. Formula:
C24H25FN2O

M.W.:
376.48

Type:
Small molecule

AlogP:
5.04

Polar Surface Area:
25.24

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA37131

Name:
4-[5-fluoro-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-teShow More⌵

Mol. Formula:
C21H21FN2O2

M.W.:
352.41

Type:
Small molecule

AlogP:
4.62

Polar Surface Area:
49.24

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA285906

Name:
1-[9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraen-16-yShow More⌵

Mol. Formula:
C24H28N2

M.W.:
344.50

Type:
Small molecule

AlogP:
5.64

Polar Surface Area:
19.03

HBA:
1

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA37215

Name:
4-{5-fluoro-9,16-diazatetracyclo[10.3.1.0^{2,10}.0^{3,8}]hexadeca-2(10),3,5Show More⌵

Mol. Formula:
C24H24F2N2O

M.W.:
394.47

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
5.56

Polar Surface Area:
36.10

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA284778

Name:
1-[5-fluoro-9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetShow More⌵

Mol. Formula:
C24H27FN2

M.W.:
362.49

Type:
Small molecule

AlogP:
5.78

Polar Surface Area:
19.03

HBA:
1

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA37010

Name:
4-[9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-15-Show More⌵

Mol. Formula:
C23H24N2O

M.W.:
344.46

3 activity values

Type:
Small molecule

AlogP:
4.89

Polar Surface Area:
36.10

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA37385

Name:
5-[5-fluoro-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-teShow More⌵

Mol. Formula:
C24H25FN2O

M.W.:
376.48

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
5.42

Polar Surface Area:
36.10

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA285030

Name:
5-[9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraen-16-yShow More⌵

Mol. Formula:
C25H28N2O

M.W.:
372.51

Type:
Small molecule

AlogP:
5.67

Polar Surface Area:
36.10

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA418607

Name:
1-(6-fluorobenzo[d]isoxazol-3-yl)-4-[4-fluoro-9,16-diazatetracyclo[10.3.1.0Show More⌵

Mol. Formula:
C25H25F2N3O

M.W.:
421.49

Type:
Small molecule

AlogP:
6.06

Polar Surface Area:
45.06

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA35096

Name:
1-(6-fluorobenzo[d]isoxazol-3-yl)-3-[5-fluoro-9,16-diazatetracyclo[10.3.1.0Show More⌵

Mol. Formula:
C24H23F2N3O

M.W.:
407.46