Compounds

Type:
Small molecule

AlogP:
4.92

Polar Surface Area:
57.53

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA261289

Name:
1,5-bis(2,6-dibromo-4-hydroxyphenyl)penta-1,4-dien-3-one

Mol. Formula:
C17H10Br4O3

M.W.:
581.88

6 activity values

4 unique targets

Type:
Small molecule

AlogP:
6.44

Polar Surface Area:
57.53

HBA:
3

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA262611

Name:
1,5-bis(3-bromo-4-hydroxyphenyl)penta-1,4-dien-3-one

Mol. Formula:
C17H12Br2O3

M.W.:
424.09

10 activity values

7 unique targets

Type:
Small molecule

AlogP:
4.92

Polar Surface Area:
57.53

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA259008

Name:
1,5-bis(3,5-dibromo-4-hydroxyphenyl)penta-1,4-dien-3-one

Mol. Formula:
C17H10Br4O3

M.W.:
581.88

14 activity values

Type:
Small molecule

AlogP:
6.44

Polar Surface Area:
57.53

HBA:
3

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA440410

Name:
1-(3-bromo-4-hydroxyphenyl)-5-(3,5-dibromo-4-hydroxyphenyl)penta-1,4-dien-3Show More⌵

Mol. Formula:
C17H11Br3O3

M.W.:
502.98

18 activity values

Type:
Small molecule

AlogP:
5.68

Polar Surface Area:
57.53

HBA:
3

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA259803

Name:
1,5-bis(3-fluoro-4-hydroxyphenyl)penta-1,4-dien-3-one

Mol. Formula:
C17H12F2O3

M.W.:
302.28

Type:
Small molecule

AlogP:
3.67

Polar Surface Area:
57.53

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA407034

Name:
1,5-bis(4-hydroxy-3,5-dimethylphenyl)penta-1,4-dien-3-one

Mol. Formula:
C21H22O3

M.W.:
322.40

20 activity values

Type:
Small molecule

AlogP:
4.63

Polar Surface Area:
57.53

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA259602

Name:
1,5-bis(2,4-dibromo-6-hydroxyphenyl)penta-1,4-dien-3-one

Mol. Formula:
C17H10Br4O3

M.W.:
581.88

6 activity values

4 unique targets

Type:
Small molecule

AlogP:
6.44

Polar Surface Area:
57.53

HBA:
3

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA258625

Name:
1,5-bis(4-hydroxy-3-nitrophenyl)penta-1,4-dien-3-one

Mol. Formula:
C17H12N2O7

M.W.:
356.29

Type:
Small molecule

AlogP:
3.21

Polar Surface Area:
143.81

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA258624

Name:
5-[5-(3-carboxy-4-hydroxyphenyl)-3-oxopenta-1,4-dienyl]-2-hydroxybenzoic acShow More⌵

Mol. Formula:
C19H14O7

M.W.:
354.31

Type:
Small molecule

AlogP:
2.79

Polar Surface Area:
132.13

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA441734

Name:
3-(3-bromo-4-hydroxyphenyl)-1-phenylprop-2-en-1-one

Mol. Formula:
C15H11BrO2

M.W.:
303.16

Type:
Small molecule

AlogP:
4.05

Polar Surface Area:
37.30

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA260450

Name:
3-(3-bromo-4-hydroxyphenyl)-1-(3,5-dibromo-4-hydroxyphenyl)prop-2-en-1-one

Mol. Formula:
C15H9Br3O3

M.W.:
476.95

10 activity values

7 unique targets

Type:
Small molecule

AlogP:
5.28

Polar Surface Area:
57.53

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA260449

Name:
3-(3,5-dibromo-4-hydroxyphenyl)-1-phenylprop-2-en-1-one

Mol. Formula:
C15H10Br2O2

M.W.:
382.05

Type:
Small molecule

AlogP:
4.81

Polar Surface Area:
37.30

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA258671

Name:
bis(3,5-dibromo-4-hydroxyphenyl)methanone

Mol. Formula:
C13H6Br4O3

M.W.:
529.80

Type:
Small molecule

AlogP:
5.38

Polar Surface Area:
57.53

HBA:
3

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA430233

Name:
1,3-bis(3,5-dibromo-4-hydroxyphenyl)prop-2-en-1-one

Mol. Formula:
C15H8Br4O3

M.W.:
555.84

10 activity values

7 unique targets

Type:
Small molecule

AlogP:
6.04

Polar Surface Area:
57.53

HBA:
3

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA260149

Name:
2,6-bis(3,5-dibromo-4-hydroxybenzylidene)cyclohexanone

Mol. Formula:
C20H14Br4O3

M.W.:
621.94

14 activity values

Type:
Small molecule

AlogP:
7.37

Polar Surface Area:
57.53

HBA:
3

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA259459

Name:
3,5-bis(3-bromo-4-hydroxybenzylidene)-1-methylpiperidin-4-one

Mol. Formula:
C20H17Br2NO3

M.W.:
479.17

Type:
Small molecule

AlogP:
4.60

Polar Surface Area:
60.77

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA259458

Name:
2,7-bis(3-bromo-4-hydroxybenzylidene)cycloheptanone

Mol. Formula:
C21H18Br2O3

M.W.:
478.18

7 activity values

5 unique targets

Type:
Small molecule

AlogP:
6.23

Polar Surface Area:
57.53

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA259457

Name:
3,5-bis(3,5-dibromo-4-hydroxybenzylidene)-1-methylpiperidin-4-one

Mol. Formula:
C20H15Br4NO3

M.W.:
636.96

14 activity values

Type:
Small molecule

AlogP:
6.13

Polar Surface Area:
60.77

HBA:
4

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA261767

Name:
3-(3,5-dibromo-4-hydroxybenzylidene)-5-(3-bromo-4-hydroxybenzylidene)-1-metShow More⌵

Mol. Formula:
C20H16Br3NO3

M.W.:
558.06