Compounds

ALA4537847

Name:
(R)-5-((3-phenoxybenzyl)(1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl)benzenShow More⌵

Mol. Formula:
C33H27NO8

M.W.:
565.58

1 activity values

1 unique targets

Type:
Unknown

AlogP:
6.29

Polar Surface Area:
141.44

HBA:
5

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA3733248

Name:
N-(3,5-bis(trifluoromethyl)benzyl)-6-(5-methylpyridin-2-yl)-5,6,7,8-tetrahyShow More⌵

Mol. Formula:
C22H19F6N5

M.W.:
467.42

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.39

Polar Surface Area:
53.94

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA3730495

Name:
N-(2-fluoro-4-(trifluoromethyl)benzyl)-6-(5-methylpyridin-2-yl)-5,6,7,8-tetShow More⌵

Mol. Formula:
C21H19F4N5

M.W.:
417.41

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.51

Polar Surface Area:
53.94

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA3728345

Name:
N-(3,5-dichlorobenzyl)-6-(5-methylpyridin-2-yl)-5,6,7,8-tetrahydropyrido[4,Show More⌵

Mol. Formula:
C20H19Cl2N5

M.W.:
400.31

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.66

Polar Surface Area:
53.94

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA3732658

Name:
N-(5-chloro-2-fluorobenzyl)-6-(5-methylpyridin-2-yl)-5,6,7,8-tetrahydropyriShow More⌵

Mol. Formula:
C20H19ClFN5

M.W.:
383.86

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.15

Polar Surface Area:
53.94

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA3728920

Name:
N-(4-fluoro-3-methylbenzyl)-6-(5-methylpyridin-2-yl)-5,6,7,8-tetrahydropyriShow More⌵

Mol. Formula:
C21H22FN5

M.W.:
363.44

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.80

Polar Surface Area:
53.94

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA3729953

Name:
N-(2-chloro-5-(trifluoromethyl)benzyl)-6-(5-methylpyridin-2-yl)-5,6,7,8-tetShow More⌵

Mol. Formula:
C21H19ClF3N5

M.W.:
433.87

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.03

Polar Surface Area:
53.94

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA3733241

Name:
N-(3,5-dimethoxybenzyl)-6-(5-methylpyridin-2-yl)-5,6,7,8-tetrahydropyrido[4Show More⌵

Mol. Formula:
C22H25N5O2

M.W.:
391.48

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.37

Polar Surface Area:
72.40

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA3729864

Name:
N-(1-(4-fluorophenyl)ethyl)-6-(5-methylpyridin-2-yl)-5,6,7,8-tetrahydropyriShow More⌵

Mol. Formula:
C21H22FN5

M.W.:
363.44

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.05

Polar Surface Area:
53.94

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA3729964

Name:
N-(3,4-dichlorobenzyl)-6-(5-methylpyridin-2-yl)-5,6,7,8-tetrahydropyrido[4,Show More⌵

Mol. Formula:
C20H19Cl2N5

M.W.:
400.31

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.66

Polar Surface Area:
53.94

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA3731726

Name:
N-(4-chloro-2-fluorobenzyl)-6-(5-methylpyridin-2-yl)-5,6,7,8-tetrahydropyriShow More⌵

Mol. Formula:
C20H19ClFN5

M.W.:
383.86

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.15

Polar Surface Area:
53.94

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA3727663

Name:
N-(2,3-dimethylbenzyl)-6-(5-methylpyridin-2-yl)-5,6,7,8-tetrahydropyrido[4,Show More⌵

Mol. Formula:
C22H25N5

M.W.:
359.48

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.97

Polar Surface Area:
53.94

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA3731814

Name:
N-(2,4-dimethylbenzyl)-6-(5-methylpyridin-2-yl)-5,6,7,8-tetrahydropyrido[4,Show More⌵

Mol. Formula:
C22H25N5

M.W.:
359.48

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.97

Polar Surface Area:
53.94

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA3727574

Name:
N-(2,4-dichlorobenzyl)-6-(5-methylpyridin-2-yl)-5,6,7,8-tetrahydropyrido[4,Show More⌵

Mol. Formula:
C20H19Cl2N5

M.W.:
400.31

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.66

Polar Surface Area:
53.94

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA3730652

Name:
N-(2,3-difluorobenzyl)-6-(5-methylpyridin-2-yl)-5,6,7,8-tetrahydropyrido[4,Show More⌵

Mol. Formula:
C20H19F2N5

M.W.:
367.40

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.63

Polar Surface Area:
53.94

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA3729967

Name:
N-(4-fluoro-3-(trifluoromethyl)benzyl)-6-(5-methylpyridin-2-yl)-5,6,7,8-tetShow More⌵

Mol. Formula:
C21H19F4N5

M.W.:
417.41

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.51

Polar Surface Area:
53.94

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA3731913

Name:
N-(3-fluoro-5-(trifluoromethyl)benzyl)-6-(5-methylpyridin-2-yl)-5,6,7,8-tetShow More⌵

Mol. Formula:
C21H19F4N5

M.W.:
417.41

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.51

Polar Surface Area:
53.94

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA3730450

Name:
N-(2-fluoro-5-(trifluoromethyl)benzyl)-6-(5-methylpyridin-2-yl)-5,6,7,8-tetShow More⌵

Mol. Formula:
C21H19F4N5

M.W.:
417.41

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.51

Polar Surface Area:
53.94

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA3731758

Name:
N-(3,4-difluorobenzyl)-6-(5-methylpyridin-2-yl)-5,6,7,8-tetrahydropyrido[4,Show More⌵

Mol. Formula:
C20H19F2N5

M.W.:
367.40

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.63

Polar Surface Area:
53.94

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA3732923

Name:
N-(2,5-difluorobenzyl)-6-(5-methylpyridin-2-yl)-5,6,7,8-tetrahydropyrido[4,Show More⌵

Mol. Formula:
C20H19F2N5

M.W.:
367.40

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.63

Polar Surface Area:
53.94

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.76

DETAILS