Compounds

ALA3350019

Name:
6-Amino-2-(2-{2-[2-[2-(3-amino-propionylamino)-4-methyl-pentanoylamino]-3-(Show More⌵

Mol. Formula:
C39H66N10O11

M.W.:
851.02

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
-3.61

Polar Surface Area:
359.52

HBA:
13

HBD:
13

#RO5 Violations:
3

#Rotatable Bonds:
28

Passes Ro3:
N

QED Weighted:
0.04

DETAILS

ALA3350017

Name:
6-Amino-2-{3-hydroxy-2-[2-({3-(4-hydroxy-phenyl)-2-[4-methyl-2-(2-methylamiShow More⌵

Mol. Formula:
C39H66N10O11

M.W.:
851.02

1 activity values

1 unique targets

Type:
Protein

AlogP:
-3.79

Polar Surface Area:
336.74

HBA:
13

HBD:
12

#RO5 Violations:
3

#Rotatable Bonds:
28

Passes Ro3:
N

QED Weighted:
0.04

DETAILS

ALA2262509

Name:
4-((3-methyl-4-(2-(pyridin-3-ylmethylamino)ethoxy)benzofuran-2-yl)methoxy)bShow More⌵

Mol. Formula:
C25H23N3O3

M.W.:
413.48

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.76

Polar Surface Area:
80.31

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA2262508

Name:
2-(2-((4-chlorophenoxy)methyl)-3-methylbenzofuran-4-yloxy)-N-(pyridin-3-ylmShow More⌵

Mol. Formula:
C24H23ClN2O3

M.W.:
422.91

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.54

Polar Surface Area:
56.52

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA2262507

Name:
2-(2-((4-fluorophenoxy)methyl)-3-methylbenzofuran-4-yloxy)-N-(pyridin-3-ylmShow More⌵

Mol. Formula:
C24H23FN2O3

M.W.:
406.46

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.02

Polar Surface Area:
56.52

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA2262506

Name:
2-(2-((2,4-difluorophenoxy)methyl)-3-methylbenzofuran-4-yloxy)-N-(pyridin-3Show More⌵

Mol. Formula:
C24H22F2N2O3

M.W.:
424.45

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.16

Polar Surface Area:
56.52

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA2262505

Name:
2-(3-methyl-2-((2,3,4-trifluorophenoxy)methyl)benzofuran-4-yloxy)-N-(pyridiShow More⌵

Mol. Formula:
C24H21F3N2O3

M.W.:
442.44

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.30

Polar Surface Area:
56.52

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA2262504

Name:
2-(2-((2-fluorophenoxy)methyl)-3-methylbenzofuran-4-yloxy)-N-(pyridin-3-ylmShow More⌵

Mol. Formula:
C24H23FN2O3

M.W.:
406.46

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.02

Polar Surface Area:
56.52

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA2262503

Name:
2-(2-((2,3-difluorophenoxy)methyl)-3-methylbenzofuran-4-yloxy)-N-(pyridin-3Show More⌵

Mol. Formula:
C24H22F2N2O3

M.W.:
424.45

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.16

Polar Surface Area:
56.52

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA2262502

Name:
2-(2-((3-fluorophenoxy)methyl)-3-methylbenzofuran-4-yloxy)-N-(pyridin-3-ylmShow More⌵

Mol. Formula:
C24H23FN2O3

M.W.:
406.46

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.02

Polar Surface Area:
56.52

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA2262501

Name:
2-(3-methyl-2-(phenoxymethyl)benzofuran-4-yloxy)-N-(pyridin-3-ylmethyl)ethaShow More⌵

Mol. Formula:
C24H24N2O3

M.W.:
388.47

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.88

Polar Surface Area:
56.52

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA2262500

Name:
2-((3-methyl-4-(2-(pyridin-3-ylmethylamino)ethoxy)benzofuran-2-yl)methoxy)bShow More⌵

Mol. Formula:
C25H23N3O3

M.W.:
413.48

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.76

Polar Surface Area:
80.31

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA2262499

Name:
2-(5'-(methoxymethyl)-3-methyl-2,2'-bibenzofuran-4-yloxy)-N-(pyridin-3-ylmeShow More⌵

Mol. Formula:
C27H26N2O4

M.W.:
442.52

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.86

Polar Surface Area:
69.66

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA2262498

Name:
1-(1-(3-methyl-4-(2-(pyridin-3-ylmethylamino)ethoxy)benzofuran-2-yl)-1H-imiShow More⌵

Mol. Formula:
C22H22N4O3

M.W.:
390.44

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.69

Polar Surface Area:
82.18

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA2262497

Name:
ethyl 4-(2-(pyridin-3-ylmethylamino)ethoxy)benzofuran-2-carboxylate

Mol. Formula:
C19H20N2O4

M.W.:
340.38

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.17

Polar Surface Area:
73.59

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA2262496

Name:
ethyl 3-isopropyl-4-(2-(pyridin-3-ylmethylamino)ethoxy)benzofuran-2-carboxyShow More⌵

Mol. Formula:
C22H26N2O4

M.W.:
382.46

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.30

Polar Surface Area:
73.59

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA2262495

Name:
ethyl 3-ethyl-4-(2-(pyridin-3-ylmethylamino)ethoxy)benzofuran-2-carboxylate

Mol. Formula:
C21H24N2O4

M.W.:
368.43

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.74

Polar Surface Area:
73.59

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA2262494

Name:
ethyl 3-methyl-4-(2-(pyridin-3-ylmethylamino)ethoxy)benzofuran-2-carboxylatShow More⌵

Mol. Formula:
C20H22N2O4

M.W.:
354.41

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.48

Polar Surface Area:
73.59

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA2262493

Name:
ethyl 4-(2-(benzylamino)ethoxy)-3-methylbenzofuran-2-carboxylate

Mol. Formula:
C21H23NO4

M.W.:
353.42

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.09

Polar Surface Area:
60.70

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA2262492

Name:
ethyl 3-cyclopropyl-4-(2-(pyridin-3-ylmethylamino)ethoxy)benzofuran-2-carboShow More⌵

Mol. Formula:
C22H24N2O4

M.W.:
380.44

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.05

Polar Surface Area:
73.59

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.45

DETAILS