Compounds

Type:
Small molecule

AlogP:
3.90

Polar Surface Area:
34.47

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA2092862

Name:
(R) 2-[3-(2-Fluoro-benzoyl)-indol-1-yl]-propionic acid

Mol. Formula:
C18H14FNO3

M.W.:
311.31

Type:
Small molecule

AlogP:
3.66

Polar Surface Area:
59.30

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA1907835

Name:
(R)(2-Fluoro-phenyl)-[1-(1-methyl-2-morpholin-4-yl-ethyl)-1H-indol-3-yl]-meShow More⌵

Mol. Formula:
C22H23FN2O2

M.W.:
366.44

Type:
Small molecule

AlogP:
3.90

Polar Surface Area:
34.47

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA1907834

Name:
(S)2-[3-(2-Fluoro-benzoyl)-indol-1-yl]-propionic acid

Mol. Formula:
C18H14FNO3

M.W.:
311.31

Type:
Small molecule

AlogP:
3.66

Polar Surface Area:
59.30

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA1907833

Name:
(R)(2-Fluoro-phenyl)-[2-methyl-1-(1-methyl-2-morpholin-4-yl-ethyl)-1H-indolShow More⌵

Mol. Formula:
C23H25FN2O2

M.W.:
380.46

Type:
Small molecule

AlogP:
4.21

Polar Surface Area:
34.47

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA337134

Name:
(S)(2-Fluoro-phenyl)-[2-methyl-1-(1-methyl-2-morpholin-4-yl-ethyl)-1H-indolShow More⌵

Mol. Formula:
C23H25FN2O2

M.W.:
380.46

3 activity values

Type:
Small molecule

AlogP:
4.21

Polar Surface Area:
34.47

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA129158

Name:
4-(2-{3-[1-(4-Methoxy-phenyl)-meth-(Z)-ylidene]-2-methyl-3H-inden-1-yl}-ethShow More⌵

Mol. Formula:
C24H27NO2

M.W.:
361.49

Type:
Small molecule

AlogP:
4.75

Polar Surface Area:
21.70

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA129525

Name:
4-(2-{3-[1-Phenyl-meth-(E)-ylidene]-3H-inden-1-yl}-ethyl)-morpholine

Mol. Formula:
C22H23NO

M.W.:
317.43

5 activity values

4 unique targets

Type:
Small molecule

AlogP:
4.35

Polar Surface Area:
12.47

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA125199

Name:
4-(2-{3-[1-(3,4-Dimethoxy-phenyl)-meth-(E)-ylidene]-3H-inden-1-yl}-ethyl)-mShow More⌵

Mol. Formula:
C24H27NO3

M.W.:
377.48

Type:
Small molecule

AlogP:
4.36

Polar Surface Area:
30.93

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA124974

Name:
4-(2-{3-[1-(4-Methanesulfinyl-phenyl)-meth-(E)-ylidene]-3H-inden-1-yl}-ethyShow More⌵

Mol. Formula:
C23H25NO2S

M.W.:
379.53

Type:
Small molecule

AlogP:
4.08

Polar Surface Area:
35.53

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA13319

Name:
2-[3-(2-Fluoro-benzoyl)-2-methyl-indol-1-yl]-propionic acid

Mol. Formula:
C19H16FNO3

M.W.:
325.34

Type:
Small molecule

AlogP:
3.97

Polar Surface Area:
59.30

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA416343

Name:
(4-Methoxy-phenyl)-[2-methyl-1-(5-morpholin-4-yl-pentyl)-1H-indol-3-yl]-metShow More⌵

Mol. Formula:
C26H32N2O3

M.W.:
420.55

Type:
Small molecule

AlogP:
4.69

Polar Surface Area:
43.70

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA273700

Name:
(4-Methoxy-phenyl)-[2-methyl-1-(6-morpholin-4-yl-hexyl)-1H-indol-3-yl]-methShow More⌵

Mol. Formula:
C27H34N2O3

M.W.:
434.58

Type:
Small molecule

AlogP:
5.08

Polar Surface Area:
43.70

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA13288

Name:
Benzo[b]thiophen-3-yl-[2-methyl-1-(2-morpholin-4-yl-ethyl)-1H-indol-3-yl]-mShow More⌵

Mol. Formula:
C24H24N2O2S

M.W.:
404.54

Type:
Small molecule

AlogP:
4.73

Polar Surface Area:
34.47

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA12566

Name:
{1-[2-(2-Hydroxy-morpholin-4-yl)-ethyl]-2-methyl-1H-indol-3-yl}-naphthalen-Show More⌵

Mol. Formula:
C26H26N2O3

M.W.:
414.51

Type:
Small molecule

AlogP:
3.98

Polar Surface Area:
54.70

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA416341

Name:
(2-Fluoro-phenyl)-[1-(2-morpholin-4-yl-ethyl)-1H-indol-3-yl]-methanone

Mol. Formula:
C21H21FN2O2

M.W.:
352.41

Type:
Small molecule

AlogP:
3.34

Polar Surface Area:
34.47

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA13215

Name:
2-[3-(2-Fluoro-benzoyl)-indol-1-yl]-propionic acid

Mol. Formula:
C18H14FNO3

M.W.:
311.31

Type:
Small molecule

AlogP:
3.66

Polar Surface Area:
59.30

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA13157

Name:
{1-[2-(3-Hydroxy-piperidin-1-yl)-ethyl]-2-methyl-1H-indol-3-yl}-(4-methoxy-Show More⌵

Mol. Formula:
C24H28N2O3

M.W.:
392.50

Type:
Small molecule

AlogP:
3.65

Polar Surface Area:
54.70

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA13463

Name:
(2-Fluoro-phenyl)-[1-(1-methyl-2-morpholin-4-yl-ethyl)-1H-indol-3-yl]-methaShow More⌵

Mol. Formula:
C22H23FN2O2

M.W.:
366.44

Type:
Small molecule

AlogP:
3.90

Polar Surface Area:
34.47

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA269233

Name:
(4-Methanesulfinyl-phenyl)-[2-methyl-1-(2-morpholin-4-yl-ethyl)-1H-indol-3-Show More⌵

Mol. Formula:
C23H26N2O3S

M.W.:
410.54