Compounds

ALA226184

Name:
5-hydroxybenzo[b]furan-2-yl-(5-hydroxy-1Hindol-2-yl)methanone

Mol. Formula:
C17H11NO4

M.W.:
293.28

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.56

Polar Surface Area:
86.46

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA226183

Name:
(benzo[b]furan-2-yl)-(1H-indol-2-yl)methanone

Mol. Formula:
C17H11NO2

M.W.:
261.28

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.15

Polar Surface Area:
46.00

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA376787

Name:
bis(5-aminobenzo[b]furan-2-yl)methanone

Mol. Formula:
C17H12N2O3

M.W.:
292.29

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.57

Polar Surface Area:
95.39

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA226182

Name:
bis(5-acetoxybenzo[b]furan-2-yl)methanone

Mol. Formula:
C21H14O7

M.W.:
378.34

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.26

Polar Surface Area:
95.95

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA226131

Name:
bis(7-hydroxybenzo[b]furan-2-yl)methanone

Mol. Formula:
C17H10O5

M.W.:
294.26

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.82

Polar Surface Area:
83.81

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA225827

Name:
bis(6-hydroxybenzo[b]furan-2-yl)methanone

Mol. Formula:
C17H10O5

M.W.:
294.26

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.82

Polar Surface Area:
83.81

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA225826

Name:
bis(5-hydroxybenzo[b]furan-2-yl)methanone

Mol. Formula:
C17H10O5

M.W.:
294.26

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.82

Polar Surface Area:
83.81

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA389234

Name:
bis(7-methoxybenzo[b]furan-2-yl)methanone

Mol. Formula:
C19H14O5

M.W.:
322.32

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.43

Polar Surface Area:
61.81

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA225825

Name:
bis(6-methoxybenzo[b]furan-2-yl)methanone

Mol. Formula:
C19H14O5

M.W.:
322.32

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.43

Polar Surface Area:
61.81

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA225772

Name:
bis(5-methoxybenzo[b]furan-2-yl)methanone

Mol. Formula:
C19H14O5

M.W.:
322.32

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.43

Polar Surface Area:
61.81

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA389233

Name:
bis(4-methoxybenzo[b]furan-2-yl)methanone

Mol. Formula:
C19H14O5

M.W.:
322.32

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.43

Polar Surface Area:
61.81

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA226417

Name:
bis(benzo[b]furan-2-yl)methanone

Mol. Formula:
C17H10O3

M.W.:
262.26

Type:
Small molecule

AlogP:
4.41

Polar Surface Area:
43.35

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA379995

Name:
2-(7-(benzyloxy)-1H-indazol-3-yl)-5-(4-(piperidin-1-yl)piperidin-1-yl)-1H-bShow More⌵

Mol. Formula:
C31H34N6O

M.W.:
506.65

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
6.14

Polar Surface Area:
73.07

HBA:
5

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA368189

Name:
N-{6-(2,6-Dichloro-phenyl)-2-[3-(4-methyl-piperazin-1-yl)-propylamino]-pyriShow More⌵

Mol. Formula:
C27H29Cl2N7O2S

M.W.:
586.55

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.85

Polar Surface Area:
103.35

HBA:
8

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA154978

Name:
1-Phenyl-1H-benzoimidazole-4-carboxylic acid methyl ester

Mol. Formula:
C15H12N2O2

M.W.:
252.27

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.81

Polar Surface Area:
44.12

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA149573

Name:
1-Phenyl-1H-benzoimidazole-4-carboxylic acid amide

Mol. Formula:
C14H11N3O

M.W.:
237.26

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.12

Polar Surface Area:
60.91

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA150579

Name:
4-Nitro-1-phenyl-1H-benzoimidazole

Mol. Formula:
C13H9N3O2

M.W.:
239.23

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.93

Polar Surface Area:
60.96

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA153600

Name:
Benzoimidazol-1-yl-phenyl-methanone

Mol. Formula:
C14H10N2O

M.W.:
222.25

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.72

Polar Surface Area:
34.89

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.63

DETAILS

ALA405050

Name:
1-Phenyl-1H-benzoimidazol-4-ylamine

Mol. Formula:
C13H11N3

M.W.:
209.25

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.61

Polar Surface Area:
43.84

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.63

DETAILS

ALA152934

Name:
5-Methyl-1-phenyl-1H-benzoimidazole

Mol. Formula:
C14H12N2

M.W.:
208.26

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.33

Polar Surface Area:
17.82

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.60

DETAILS