Compounds

ALA5283294

Name:
3-(4-chloro-3,5-difluorophenyl)-N-cyclopropylimidazo[1,2-b]pyridazine-2-carShow More⌵

Mol. Formula:
C16H11ClF2N4O

M.W.:
348.74

Type:
---

AlogP:
3.22

Polar Surface Area:
59.29

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA4764246

Name:
N-(2,4-difluorophenyl)-5-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyriShow More⌵

Mol. Formula:
C19H19F2N5OS

M.W.:
403.46

4 activity values

4 unique targets

Type:
Unknown

AlogP:
3.28

Polar Surface Area:
61.36

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4208249

Name:
(R)-3-(5-Ethylfuran-2-yl)-2-(5-(pyridin-2-yl)pyrimidin-2-yl)-1,2,3,4-tetrahShow More⌵

Mol. Formula:
C26H21N5O2

M.W.:
435.49

14 activity values

9 unique targets

Type:
Small molecule

AlogP:
4.65

Polar Surface Area:
87.91

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA4205338

Name:
(R)-3-(5-Ethylthiophen-2-yl)-2-(5-(pyridin-2-yl)pyrimidin-2-yl)-1,2,3,4-tetShow More⌵

Mol. Formula:
C26H21N5OS

M.W.:
451.56

14 activity values

9 unique targets

Type:
Small molecule

AlogP:
5.11

Polar Surface Area:
74.77

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4110913

Name:
US8865662, 1

Mol. Formula:
C66H101Cl2N5O17

M.W.:
1307.46

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4082465

Name:
(R)-(-)-7-amino-1-(2,5-dimethoxyphenyl)-3-propylpyrido[2,3-d]pyrimidine-2,4Show More⌵

Mol. Formula:
C18H20N4O4

M.W.:
356.38

6 activity values

3 unique targets

Type:
Small molecule

AlogP:
1.56

Polar Surface Area:
101.37

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA3694420

Name:
US8716478, D253

Mol. Formula:
C18H16BClN2O5

M.W.:
386.60

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3694419

Name:
US8716478, D248

Mol. Formula:
C18H15BClFN2O5

M.W.:
404.59

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3694418

Name:
US8716478, D247

Mol. Formula:
C18H17BClFN2O5

M.W.:
406.61

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3694417

Name:
US8716478, D246

Mol. Formula:
C19H18BClN2O5

M.W.:
400.63

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3694416

Name:
US8716478, D245

Mol. Formula:
C19H20BClN2O5

M.W.:
402.64

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3694415

Name:
US8716478, D243

Mol. Formula:
C19H18BN3O5

M.W.:
379.18

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3694414

Name:
US8716478, D242

Mol. Formula:
C19H16BF3N2O5

M.W.:
420.15

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3694413

Name:
US8716478, D241

Mol. Formula:
C19H18BF3N2O5

M.W.:
422.17

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3694412

Name:
US8716478, D239

Mol. Formula:
C18H16BClN2O5

M.W.:
386.60

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3694411

Name:
US8716478, D232

Mol. Formula:
C18H18BClN2O6

M.W.:
404.62

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3694410

Name:
US8716478, D231

Mol. Formula:
C18H16BClN2O5

M.W.:
386.60

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3694409

Name:
US8716478, D230::US8716478, D238

Mol. Formula:
C18H18BClN2O5

M.W.:
388.62

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3676257

Name:
US8829190, 128

Mol. Formula:
C17H14Cl2N4O3

M.W.:
393.23

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.98

Polar Surface Area:
83.43

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA3676256

Name:
US8829190, 127

Mol. Formula:
C18H16ClN3O2

M.W.:
341.80

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.69

Polar Surface Area:
56.49

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.66

DETAILS