Compounds

Type:
Small molecule

AlogP:
5.34

Polar Surface Area:
77.25

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA173962

Name:
(3-Methyl-4-{3-[(pyridin-3-ylmethyl)-amino]-propoxy}-benzofuran-2-yl)-thiazShow More⌵

Mol. Formula:
C22H21N3O3S

M.W.:
407.50

Type:
Small molecule

AlogP:
4.38

Polar Surface Area:
77.25

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA355497

Name:
(1-Methyl-1H-imidazol-2-yl)-(3-methyl-4-{3-[(pyridin-3-ylmethyl)-amino]-proShow More⌵

Mol. Formula:
C23H24N4O3

M.W.:
404.47

Type:
Small molecule

AlogP:
3.66

Polar Surface Area:
82.18

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA173370

Name:
(1-Methyl-1H-benzoimidazol-2-yl)-(3-methyl-4-{3-[(pyridin-3-ylmethyl)-aminoShow More⌵

Mol. Formula:
C27H26N4O3

M.W.:
454.53

Type:
Small molecule

AlogP:
4.81

Polar Surface Area:
82.18

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA422896

Name:
(1-Isopropyl-1H-benzoimidazol-2-yl)-(3-methyl-4-{3-[(pyridin-3-ylmethyl)-amShow More⌵

Mol. Formula:
C29H30N4O3

M.W.:
482.58

Type:
Small molecule

AlogP:
5.86

Polar Surface Area:
82.18

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA171506

Name:
(1-Allyl-1H-benzoimidazol-2-yl)-(3-methyl-4-{3-[(pyridin-3-ylmethyl)-amino]Show More⌵

Mol. Formula:
C29H28N4O3

M.W.:
480.57

8 activity values

Type:
Small molecule

AlogP:
5.46

Polar Surface Area:
82.18

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA353249

Name:
(3-Methyl-4-{3-[(pyridin-3-ylmethyl)-amino]-propoxy}-benzofuran-2-yl)-pyridShow More⌵

Mol. Formula:
C24H23N3O3

M.W.:
401.47

Type:
Small molecule

AlogP:
4.32

Polar Surface Area:
77.25

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA172455

Name:
(3-Methyl-4-{3-[(pyridin-3-ylmethyl)-amino]-propoxy}-benzofuran-2-yl)-phenyShow More⌵

Mol. Formula:
C25H24N2O3

M.W.:
400.48

Type:
Small molecule

AlogP:
4.93

Polar Surface Area:
64.36

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA355250

Name:
(3-Methyl-4-{3-[(pyridin-3-ylmethyl)-amino]-propoxy}-benzofuran-2-yl)-pyridShow More⌵

Mol. Formula:
C24H23N3O3

M.W.:
401.47

15 activity values

10 unique targets

Type:
Small molecule

AlogP:
4.32

Polar Surface Area:
77.25

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA368134

Name:
Furan-2-yl-(3-methyl-4-{3-[(pyridin-3-ylmethyl)-amino]-propoxy}-benzofuran-Show More⌵

Mol. Formula:
C23H22N2O4

M.W.:
390.44

Type:
Small molecule

AlogP:
4.52

Polar Surface Area:
77.50

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA422746

Name:
(3-Methyl-4-{3-[(pyridin-3-ylmethyl)-amino]-propoxy}-benzofuran-2-yl)-(4-meShow More⌵

Mol. Formula:
C23H23N3O3S

M.W.:
421.52

Type:
Small molecule

AlogP:
4.69

Polar Surface Area:
77.25

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA170524

Name:
(4,5-Dimethyl-thiazol-2-yl)-(3-methyl-4-{3-[(pyridin-3-ylmethyl)-amino]-proShow More⌵

Mol. Formula:
C24H25N3O3S

M.W.:
435.55

Type:
Small molecule

AlogP:
5.00

Polar Surface Area:
77.25

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA172471

Name:
(3-Methyl-4-{3-[(pyridin-3-ylmethyl)-amino]-propoxy}-benzofuran-2-yl)-pyridShow More⌵

Mol. Formula:
C24H25N3O3

M.W.:
403.48

Type:
Small molecule

AlogP:
4.17

Polar Surface Area:
80.41

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA355170

Name:
[3-(3-Methyl-2-pyridin-2-ylmethyl-benzofuran-4-yloxy)-propyl]-pyridin-3-ylmShow More⌵

Mol. Formula:
C24H25N3O2

M.W.:
387.48

Type:
Small molecule

AlogP:
4.68

Polar Surface Area:
60.18

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA347048

Name:
{3-[3-Methyl-2-(2,3,4-trifluoro-phenoxymethyl)-benzofuran-4-yloxy]-propyl}-Show More⌵

Mol. Formula:
C25H23F3N2O3

M.W.:
456.46

27 activity values

11 unique targets

Type:
Small molecule

AlogP:
5.69

Polar Surface Area:
56.52

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA158185

Name:
{3-[2-(4-Bromo-2-fluoro-phenoxymethyl)-3-methyl-benzofuran-4-yloxy]-propyl}Show More⌵

Mol. Formula:
C25H24BrFN2O3

M.W.:
499.38

Type:
Small molecule

AlogP:
6.18

Polar Surface Area:
56.52

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA345893

Name:
{3-[2-(2,4-Difluoro-phenoxymethyl)-3-methyl-benzofuran-4-yloxy]-propyl}-pyrShow More⌵

Mol. Formula:
C25H24F2N2O3

M.W.:
438.47

8 activity values

Type:
Small molecule

AlogP:
5.55

Polar Surface Area:
56.52

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA155469

Name:
4-(3-Methyl-4-{3-[(pyridin-3-ylmethyl)-amino]-propoxy}-benzofuran-2-ylmethoShow More⌵

Mol. Formula:
C26H25N3O3

M.W.:
427.50

Type:
Small molecule

AlogP:
5.15

Polar Surface Area:
80.31

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA155240

Name:
3-Methyl-4-{3-[(pyridin-3-ylmethyl)-amino]-propoxy}-benzofuran-2-carboxylicShow More⌵

Mol. Formula:
C25H25N3O3

M.W.:
415.49

6 activity values