Compounds

Type:
---

AlogP:
-3.88

Polar Surface Area:
303.01

HBA:
18

HBD:
11

#RO5 Violations:
3

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA5209421

Name:
1,4-Bis((5-methoxy-6-methylbenzofuran-3-yl)methyl)piperazine

Mol. Formula:
C26H30N2O4

M.W.:
434.54

Type:
---

AlogP:
5.13

Polar Surface Area:
51.22

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA5209359

Name:
(7-(Siethylamino)-2-oxo-2H-chromen-4-yl)methy1-3-(2-acetamidoethyl)-5-methoShow More⌵

Mol. Formula:
C28H31N3O6

M.W.:
505.57

9 activity values

Type:
---

AlogP:
4.47

Polar Surface Area:
103.01

HBA:
8

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA5209325

Name:
N-((5-Methoxy-6-methylbenzofuran-3-yl)methyl)cyclopropanecarboxamide

Mol. Formula:
C15H17NO3

M.W.:
259.31

Type:
---

AlogP:
2.78

Polar Surface Area:
51.47

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.92

DETAILS

ALA5207850

Name:
N-Ethyl-N-((5-methoxy-6-methylbenzofuran-3-yl)methyl)-ethanamine

Mol. Formula:
C15H21NO2

M.W.:
247.34

Type:
---

AlogP:
3.59

Polar Surface Area:
25.61

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA5206202

Name:
5-methoxy-2-phenylbenzofuran-3-carbaldehyde

Mol. Formula:
C16H12O3

M.W.:
252.27

Type:
---

AlogP:
3.92

Polar Surface Area:
39.44

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA5205312

Name:
(5-Methoxy-6-methylbenzofuran-3-yl)methyl acetate

Mol. Formula:
C13H14O4

M.W.:
234.25

Type:
---

AlogP:
2.81

Polar Surface Area:
48.67

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA5204811

Name:
1-((5-Methoxy-6-methylbenzofuran-3-yl)methyl)-4-methyl-1,4-diazepane

Mol. Formula:
C17H24N2O2

M.W.:
288.39

Type:
---

AlogP:
2.89

Polar Surface Area:
28.85

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA5204744

Name:
1-Ethyl-4-((5-methoxy-6-methylbenzofuran-3-yl)methyl)piperazine

Mol. Formula:
C17H24N2O2

M.W.:
288.39

Type:
---

AlogP:
2.89

Polar Surface Area:
28.85

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA5204359

Name:
1-((5-methoxy-2-phenylbenzofuran-3-yl)methyl)-4-methylpiperazine

Mol. Formula:
C21H24N2O2

M.W.:
336.44

Type:
---

AlogP:
3.86

Polar Surface Area:
28.85

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA5203582

Name:
(5-methoxy-2-methylbenzofuran-3-yl)methanol

Mol. Formula:
C11H12O3

M.W.:
192.21

Type:
---

AlogP:
2.24

Polar Surface Area:
42.60

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.79

DETAILS

ALA5203420

Name:
tert-butyl 4-((5-methoxy-6-methylbenzofuran-3-yl)methyl)piperazine-1-carboxShow More⌵

Mol. Formula:
C20H28N2O4

M.W.:
360.45

Type:
---

AlogP:
3.80

Polar Surface Area:
55.15

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA5203154

Name:
N-((5-Methoxy-6-methylbenzofuran-3-yl)methyl)-Npropylpropan-1-amine

Mol. Formula:
C17H25NO2

M.W.:
275.39

Type:
---

AlogP:
4.37

Polar Surface Area:
25.61

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA5202288

Name:
(5-methoxy-6-methylbenzofuran-3-yl)-methanamine

Mol. Formula:
C11H13NO2

M.W.:
191.23

Type:
---

AlogP:
2.21

Polar Surface Area:
48.39

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.79

DETAILS

ALA5201179

Name:
5-methoxybenzofuran-3-carbaldehyde

Mol. Formula:
C10H8O3

M.W.:
176.17

Type:
---

AlogP:
2.25

Polar Surface Area:
39.44

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.66

DETAILS

ALA5199710

Name:
2-(4-((5-Methoxy-6-methylbenzofuran-3-yl)methyl)piperazin-1-yl)pyrazine

Mol. Formula:
C19H22N4O2

M.W.:
338.41

Type:
---

AlogP:
2.86

Polar Surface Area:
54.63

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA5197397

Name:
1-(4-((5-methoxy-6-methylbenzofuran-3-yl)methyl)piperazin-1-yl)ethanone

Mol. Formula:
C17H22N2O3

M.W.:
302.37

Type:
---

AlogP:
2.41

Polar Surface Area:
45.92

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA5197161

Name:
N-((5-Methoxy-6-methylbenzofuran-3-yl)methyl)acetamide

Mol. Formula:
C13H15NO3

M.W.:
233.27

Type:
---

AlogP:
2.39

Polar Surface Area:
51.47

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
Y

QED Weighted:
0.89

DETAILS

ALA5196731

Name:
1-((5-methoxybenzofuran-3-yl)methyl)-4-methylpiperazine

Mol. Formula:
C15H20N2O2

M.W.:
260.34

Type:
---

AlogP:
2.19

Polar Surface Area:
28.85

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA5196591

Name:
N-Butyl-N-((5-methoxy-6-methylbenzofuran-3-yl)methyl)butan-1-amine

Mol. Formula:
C19H29NO2

M.W.:
303.45