Compounds

Type:
Small molecule

AlogP:
4.05

Polar Surface Area:
83.97

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA3422679

Name:
2-Amino-N-[4-[[3-(1-methylpyrazol-4-yl)-1H-indol-5-yl]oxy]phenyl]acetamide

Mol. Formula:
C19H18N6O2

M.W.:
362.39

Type:
Small molecule

AlogP:
2.65

Polar Surface Area:
110.85

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA3422678

Name:
(2S)-N-[4-[3-Cyano-1-[(3,5-dimethylisoxazol-4-yl)methyl]-indazol-5-yl]oxyphShow More⌵

Mol. Formula:
C25H24N6O3

M.W.:
456.51

Type:
Small molecule

AlogP:
4.04

Polar Surface Area:
118.00

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA3422677

Name:
(2S)-N-[4-(3-Cyano-1-isobutyl-indazol-5-yl)oxyphenyl]pyrrolidine-2-carboxamShow More⌵

Mol. Formula:
C23H25N5O2

M.W.:
403.49

8 activity values

6 unique targets

Type:
Small molecule

AlogP:
4.05

Polar Surface Area:
91.97

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

AZ PFKFB3 67

Name:
(2S)-N-[4-[3-Cyano-1-[(3,5-dimethylisoxazol-4-yl)methyl]indol-5-yl]oxyphenyShow More⌵

Mol. Formula:
C26H25N5O3

M.W.:
455.52

Type:
Small molecule

AlogP:
4.65

Polar Surface Area:
105.11

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA3422675

Name:
(2S)-N-[4-(1-Benzyl-3-cyano-indol-5-yl)oxyphenyl]pyrrolidine-2-carboxamide

Mol. Formula:
C27H24N4O2

M.W.:
436.52

Type:
Small molecule

AlogP:
5.04

Polar Surface Area:
79.08

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA3422674

Name:
(2S)-N-[4-[3-Cyano-1-(2-methyl-1-oxo-isoindolin-5-yl)indol-5-yl]oxyphenyl]pShow More⌵

Mol. Formula:
C29H25N5O3

M.W.:
491.55

7 activity values

Type:
Small molecule

AlogP:
4.57

Polar Surface Area:
99.39

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA3422673

Name:
(2S)-N-[4-(3-Cyano-1-phenyl-indol-5-yl)oxyphenyl]pyrrolidine-2-carboxamide

Mol. Formula:
C26H22N4O2

M.W.:
422.49

Type:
Small molecule

AlogP:
4.98

Polar Surface Area:
79.08

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA3422672

Name:
(2S)-N-[4-[3-Cyano-1-(tetrahydropyran-4-ylmethyl)indol-5-yl]oxyphenyl]pyrroShow More⌵

Mol. Formula:
C26H28N4O3

M.W.:
444.54

Type:
Small molecule

AlogP:
4.42

Polar Surface Area:
88.31

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA3422671

Name:
(2S)-N-[4-[3-Cyano-1-[2-(dimethylamino)ethyl]indol-5-yl]oxyphenyl]pyrrolidiShow More⌵

Mol. Formula:
C24H27N5O2

M.W.:
417.51

Type:
Small molecule

AlogP:
3.56

Polar Surface Area:
82.32

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA3422670

Name:
(2S)-N-[4-[3-cyano-1-[2-(methylamino)-2-oxo-ethyl]indol-5-yl]oxyphenyl]pyrrShow More⌵

Mol. Formula:
C23H23N5O3

M.W.:
417.47

Type:
Small molecule

AlogP:
2.74

Polar Surface Area:
108.18

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA3422669

Name:
(2S)-N-[4-(3-cyano-1-ethyl-indol-5-yl)oxyphenyl]-5-oxo-pyrrolidine-2-carboxShow More⌵

Mol. Formula:
C23H22N4O3

M.W.:
402.45

Type:
Small molecule

AlogP:
3.57

Polar Surface Area:
87.36

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA3422668

Name:
(2S)-N-[4-(3-Cyano-1-ethyl-indol-5-yl)oxyphenyl]piperidine-2-carboxamide

Mol. Formula:
C23H24N4O2

M.W.:
388.47

Type:
Small molecule

AlogP:
4.41

Polar Surface Area:
79.08

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA3422667

Name:
(2S)-N-[4-(3-cyano-1-ethyl-indol-5-yl)oxyphenyl]azetidine-2-carboxamide

Mol. Formula:
C21H20N4O2

M.W.:
360.42

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.63

Polar Surface Area:
79.08

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA3422666

Name:
(2S)-N-[4-(3-Cyano-1-ethyl-indol-5-yl)oxyphenyl]-N-methyl-pyrrolidine-2-carShow More⌵

Mol. Formula:
C23H24N4O2

M.W.:
388.47

Type:
Small molecule

AlogP:
4.04

Polar Surface Area:
70.29

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA3422665

Name:
(2R)-N-[4-(3-Cyano-1-ethyl-indol-5-yl)oxyphenyl]pyrrolidine-2-carboxamide

Mol. Formula:
C22H22N4O2

M.W.:
374.44

Type:
Small molecule

AlogP:
4.02

Polar Surface Area:
79.08

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA3422664

Name:
(2S)-N-[4-(3-Cyano-1-ethyl-indol-5-yl)oxyphenyl]pyrrolidine-2-carboxamide

Mol. Formula:
C22H22N4O2

M.W.:
374.44

7 activity values

Type:
Small molecule

AlogP:
4.02

Polar Surface Area:
79.08

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA3422663

Name:
N-[4-(3-Cyano-1-ethyl-indol-5-yl)oxyphenyl]-2-(dimethylamino)acetamide

Mol. Formula:
C21H22N4O2

M.W.:
362.43

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.83

Polar Surface Area:
70.29

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA3422662

Name:
N-[4-(3-Cyano-1-ethyl-indol-5-yl)oxyphenyl]-2-(methylamino)acetamide

Mol. Formula:
C20H20N4O2

M.W.:
348.41