Compounds

Type:
Small molecule

AlogP:
3.56

Polar Surface Area:
104.06

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4104330

Name:
5-(4-tert-butylphenylsulfonamido)-2-methylnaphtho[1,2-b]furan-3-carboxylic Show More⌵

Mol. Formula:
C24H23NO5S

M.W.:
437.52

Type:
Small molecule

AlogP:
5.69

Polar Surface Area:
96.61

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4103478

Name:
1,3,8-Trihydroxy-2-(3-methoxyphenyl)-6-methyl-9,10-dihydroanthracene-9,10-dShow More⌵

Mol. Formula:
C22H16O6

M.W.:
376.36

Type:
Small molecule

AlogP:
3.56

Polar Surface Area:
104.06

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4102910

Name:
2-phenyl-5-(phenylsulfonamido)benzofuran-3-carboxylic acid

Mol. Formula:
C21H15NO5S

M.W.:
393.42

Type:
Small molecule

AlogP:
4.60

Polar Surface Area:
96.61

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4100314

Name:
1,3,8-trihydroxy-6-methyl-2-(piperidin-1-ylmethyl)anthracene-9,10-dione

Mol. Formula:
C21H21NO5

M.W.:
367.40

6 activity values

5 unique targets

Type:
Small molecule

AlogP:
2.87

Polar Surface Area:
98.07

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4099000

Name:
5,7-dihydroxy-9-methyl-3-phenyl-3,4-dihydro-2H-anthra[2,3-e][1,3]oxazine-6,Show More⌵

Mol. Formula:
C23H17NO5

M.W.:
387.39

Type:
Small molecule

AlogP:
3.54

Polar Surface Area:
87.07

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4096601

Name:
5-methyl-4-((6-oxo-6H-benzo[c]chromen-3-yloxy)methyl)furan-2-carboxylic aciShow More⌵

Mol. Formula:
C20H14O6

M.W.:
350.33

Type:
Small molecule

AlogP:
4.12

Polar Surface Area:
89.88

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA4095719

Name:
1,3,8-Trihydroxy-6-methyl-2-(3-methylphenyl)-9,10-dihydroanthracene-9,10-diShow More⌵

Mol. Formula:
C22H16O5

M.W.:
360.37

Type:
Small molecule

AlogP:
3.86

Polar Surface Area:
94.83

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4095161

Name:
5-(4-methyl-3-nitrophenylsulfonamido)-2-phenylbenzofuran-3-carboxylic acid

Mol. Formula:
C22H16N2O7S

M.W.:
452.44

Type:
Small molecule

AlogP:
4.82

Polar Surface Area:
139.75

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4094239

Name:
2-phenyl-5-(phenyl(2,3,5,6-tetrafluoro-4-methoxyphenyl)methoxy)benzofuran-3Show More⌵

Mol. Formula:
C29H18F4O5

M.W.:
522.45

Type:
Small molecule

AlogP:
7.53

Polar Surface Area:
68.90

HBA:
4

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA4094117

Name:
5-methyl-4-((2-oxo-4-phenyl-6-propyl-2H-chromen-7-yloxy)methyl)furan-2-carbShow More⌵

Mol. Formula:
C25H22O6

M.W.:
418.45

14 activity values

6 unique targets

Type:
Small molecule

AlogP:
5.59

Polar Surface Area:
89.88

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4093300

Name:
2-Chloro-1,3,8-trihydroxy-6-methyl-anthracene-9,10-dione

Mol. Formula:
C15H9ClO5

M.W.:
304.69

2 unique targets

Type:
Small molecule

AlogP:
2.54

Polar Surface Area:
94.83

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4093181

Name:
4-((6-hexyl-2-oxo-4-phenyl-2H-chromen-7-yloxy)methyl)-5-methylfuran-2-carboShow More⌵

Mol. Formula:
C28H28O6

M.W.:
460.53

Type:
Small molecule

AlogP:
6.76

Polar Surface Area:
89.88

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA4091629

Name:
1,3,8-Trihydroxy-6-methyl-2-(pyridin-3-yl)-9,10-dihydroanthracene-9,10-dionShow More⌵

Mol. Formula:
C20H13NO5

M.W.:
347.33

Type:
Small molecule

AlogP:
2.95

Polar Surface Area:
107.72

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4087965

Name:
5-((4-methyl-6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-3-yloxy)methyl)fuShow More⌵

Mol. Formula:
C20H18O6

M.W.:
354.36

Type:
Small molecule

AlogP:
3.85

Polar Surface Area:
89.88

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4086477

Name:
5-(2,3-dimethylphenylsulfonamido)-2-methylbenzofuran-3-carboxylic acid

Mol. Formula:
C18H17NO5S

M.W.:
359.40

Type:
Small molecule

AlogP:
3.86

Polar Surface Area:
96.61

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA4085553

Name:
1,3,8-Trihydroxy-6-methyl-2-(4-methylphenyl)-9,10-dihydroanthracene-9,10-diShow More⌵

Mol. Formula:
C22H16O5

M.W.:
360.37

Type:
Small molecule

AlogP:
3.86

Polar Surface Area:
94.83

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4084819

Name:
4-Chloro-1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracen-9-one

Mol. Formula:
C15H11ClO4

M.W.:
290.70

2 unique targets

Type:
Small molecule

AlogP:
2.90

Polar Surface Area:
77.76

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4083854

Name:
2,4,5-Trihydroxy-7-methyl-1,3-bis(pyridin-3-yl)-9,10-dihydroanthracene-9,10Show More⌵

Mol. Formula:
C25H16N2O5

M.W.:
424.41

Type:
Small molecule

AlogP:
4.01

Polar Surface Area:
120.61

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4080134

Name:
2-(3,5-Dimethoxyphenyl)-1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9,Show More⌵

Mol. Formula:
C23H18O7

M.W.:
406.39