Compounds

Type:
Small molecule

AlogP:
4.16

Polar Surface Area:
93.06

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA457810

Name:
Tenellone A

Mol. Formula:
C25H30O7

M.W.:
442.51

Type:
Small molecule

AlogP:
3.47

Polar Surface Area:
124.29

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA496355

Name:
4-[7-(3-Dimethylaminopropyl)-2-(4-fluorophenyl)-imidazo[1,2-a]pyridin-3-yl]Show More⌵

Mol. Formula:
C22H23FN6

M.W.:
390.47

13 activity values

Type:
Small molecule

AlogP:
3.67

Polar Surface Area:
72.34

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA523929

Name:
3-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]-pyridin-7-yl]dimShow More⌵

Mol. Formula:
C19H17FN6

M.W.:
348.39

13 activity values

Type:
Small molecule

AlogP:
3.25

Polar Surface Area:
72.34

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA522900

Name:
4-[7-tert-Butylaminomethyl)-2-(4-fluorophenyl)imidazo-[1,2-a]pyridin-3-yl]pShow More⌵

Mol. Formula:
C22H23FN6

M.W.:
390.47

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.07

Polar Surface Area:
81.13

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA491138

Name:
4-(2-(4-fluorophenyl)-6-(1-methylpiperidin-4-yl)-1H-indol-3-yl)pyrimidin-2-Show More⌵

Mol. Formula:
C24H24FN5

M.W.:
401.49

Type:
Small molecule

AlogP:
4.82

Polar Surface Area:
70.83

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA523808

Name:
2-(4-fluorophenyl)-6-((4-methylpiperazin-1-yl)methyl)-3-(pyridin-4-yl)-1H-iShow More⌵

Mol. Formula:
C25H25FN4

M.W.:
400.50

Type:
Small molecule

AlogP:
4.78

Polar Surface Area:
35.16

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA491137

Name:
(2-(4-fluorophenyl)-3-(pyridin-4-yl)-1H-indol-6-yl)(4-methylpiperazin-1-yl)Show More⌵

Mol. Formula:
C25H23FN4O

M.W.:
414.48

Type:
Small molecule

AlogP:
4.42

Polar Surface Area:
52.23

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA491136

Name:
2-(4-fluorophenyl)-6-((1-methylpiperidin-4-yl)methyl)-3-(pyridin-4-yl)-1H-iShow More⌵

Mol. Formula:
C26H26FN3

M.W.:
399.51

Type:
Small molecule

AlogP:
5.92

Polar Surface Area:
31.92

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA491505

Name:
2-(4-fluorophenyl)-6-(1-methylazetidin-3-yl)-3-(pyridin-4-yl)-1H-indole

Mol. Formula:
C23H20FN3

M.W.:
357.43

Type:
Small molecule

AlogP:
5.07

Polar Surface Area:
31.92

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA523983

Name:
4-(2-(4-fluorophenyl)-3-(pyridin-4-yl)-1H-indol-6-yl)morpholine

Mol. Formula:
C23H20FN3O

M.W.:
373.43

Type:
Small molecule

AlogP:
4.87

Polar Surface Area:
41.15

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA491503

Name:
2-(4-(2-(4-fluorophenyl)-3-(pyridin-4-yl)-1H-indol-6-yl)piperidin-1-yl)ethaShow More⌵

Mol. Formula:
C26H26FN3O

M.W.:
415.51

Type:
Small molecule

AlogP:
5.21

Polar Surface Area:
52.15

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA489129

Name:
6-(1-ethylpiperidin-4-yl)-2-(4-fluorophenyl)-3-(pyridin-4-yl)-1H-indole

Mol. Formula:
C26H26FN3

M.W.:
399.51

Type:
Small molecule

AlogP:
6.24

Polar Surface Area:
31.92

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA489128

Name:
2-(4-fluorophenyl)-6-(1-methylpiperidin-4-yl)-3-(pyridin-4-yl)-1H-indole

Mol. Formula:
C25H24FN3

M.W.:
385.49

Type:
Small molecule

AlogP:
5.85

Polar Surface Area:
31.92

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA521910

Name:
2-(4-fluorophenyl)-6-(piperidin-4-yl)-3-(pyridin-4-yl)-1H-indole

Mol. Formula:
C24H22FN3

M.W.:
371.46

Type:
Small molecule

AlogP:
5.50

Polar Surface Area:
40.71

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA489906

Name:
2-(4-(2-(4-fluorophenyl)-3-(pyrimidin-4-yl)-1H-indol-6-yl)piperidin-1-yl)etShow More⌵

Mol. Formula:
C25H25FN4O

M.W.:
416.50

Type:
Small molecule

AlogP:
4.60

Polar Surface Area:
65.04

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA522800

Name:
2-(4-fluorophenyl)-6-(1-methylpiperidin-4-yl)-3-(pyrimidin-4-yl)-1H-indole

Mol. Formula:
C24H23FN4

M.W.:
386.47

Type:
Small molecule

AlogP:
5.24

Polar Surface Area:
44.81

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA522092

Name:
2-(4-fluorophenyl)-6-(piperidin-4-yl)-3-(pyrimidin-4-yl)-1H-indole

Mol. Formula:
C23H21FN4

M.W.:
372.45