Compounds

Type:
Unknown

AlogP:
4.25

Polar Surface Area:
55.76

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4789024

Name:
(E)-3-(4-Hydroxynaphthalen-1-yl)-1-(thiophen-2-yl)prop-2-en-1-one

Mol. Formula:
C17H12O2S

M.W.:
280.35

Type:
Unknown

AlogP:
4.50

Polar Surface Area:
37.30

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4786246

Name:
(2E,4E)-1-(4-Hydroxyphenyl)-5-(2-methoxyphenyl)penta-2,4-dien-1-one

Mol. Formula:
C18H16O3

M.W.:
280.32

Type:
Unknown

AlogP:
3.85

Polar Surface Area:
46.53

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4784996

Name:
3-(5-hydroxy-2-methoxyphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one

Mol. Formula:
C16H14O4

M.W.:
270.28

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.00

Polar Surface Area:
66.76

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4780290

Name:
(1E,4E)-1-(4-Hydroxy-2-methoxyphenyl)-5-(4-methoxyphenyl)penta-1,4-dien-3-oShow More⌵

Mol. Formula:
C19H18O4

M.W.:
310.35

Type:
Unknown

AlogP:
3.71

Polar Surface Area:
55.76

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA4765091

Name:
(E)-1-(4-Hydroxyphenyl)-3-(4-methoxynaphthalen-1-yl)prop-2-en-1-one

Mol. Formula:
C20H16O3

M.W.:
304.35

Type:
Unknown

AlogP:
4.45

Polar Surface Area:
46.53

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4764053

Name:
(2E,4E)-5-(2-methoxyphenyl)-1-(pyridin-3-yl)penta-2,4-dien-1-one

Mol. Formula:
C17H15NO2

M.W.:
265.31

Type:
Unknown

AlogP:
3.54

Polar Surface Area:
39.19

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4756611

Name:
(2E,4E)-5-(4-Hydroxy-3-methoxyphenyl)-1-(4-hydroxyphenyl)penta-2,4-dien-1-oShow More⌵

Mol. Formula:
C18H16O4

M.W.:
296.32

17 activity values

5 unique targets

Type:
Unknown

AlogP:
3.56

Polar Surface Area:
66.76

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4746320

Name:
(E)-1-(4-Hydroxy-2-methoxyphenyl)-3-(4-hydroxynaphthalen-1-yl)prop-2-en-1-oShow More⌵

Mol. Formula:
C20H16O4

M.W.:
320.34

Type:
Unknown

AlogP:
4.16

Polar Surface Area:
66.76

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4743183

Name:
(E)-3-(4-Hydroxynaphthalen-1-yl)-1-(4-hydroxyphenyl)prop-2-en-1-one

Mol. Formula:
C19H14O3

M.W.:
290.32

Type:
Unknown

AlogP:
4.15

Polar Surface Area:
57.53

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4741582

Name:
1-(furan-2-yl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one

Mol. Formula:
C14H12O4

M.W.:
244.25

2 activity values

Type:
Unknown

AlogP:
2.89

Polar Surface Area:
59.67

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4740912

Name:
(E)-1-(2,4-dihydroxyphenyl)-3-(4-hydroxynaphthalen-1-yl)prop-2-en-1-one

Mol. Formula:
C19H14O4

M.W.:
306.32

17 activity values

5 unique targets

Type:
Unknown

AlogP:
3.85

Polar Surface Area:
77.76

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4740843

Name:
(E)-1-(furan-2-yl)-3-(4-hydroxynaphthalen-1-yl)prop-2-en-1-one

Mol. Formula:
C17H12O3

M.W.:
264.28

Type:
Unknown

AlogP:
4.03

Polar Surface Area:
50.44

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4593652

Name:
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-benzyl-6-oxo-1,6-dihydropyridineShow More⌵

Mol. Formula:
C23H21N3O4

M.W.:
403.44

5 activity values

Type:
Unknown

AlogP:
1.29

Polar Surface Area:
111.26

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4592411

Name:
(2R)-N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-oxo-1-(3-(trifluoromethoxy)Show More⌵

Mol. Formula:
C23H22F3N3O5

M.W.:
477.44

5 activity values

Type:
Unknown

AlogP:
1.86

Polar Surface Area:
118.80

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4591200

Name:
(2R)-N-(4-Amino-3,4-dioxo-1-phenylbutan-2-yl)-1-benzyl-5-oxopyrrolidine-2-cShow More⌵

Mol. Formula:
C22H23N3O4

M.W.:
393.44

10 activity values

Type:
Unknown

AlogP:
0.96

Polar Surface Area:
109.57

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4590219

Name:
(2R)-1-benzyl-N-(4-(methoxyamino)-3,4-dioxo-1-phenylbutan-2-yl)-5-oxopyrrolShow More⌵

Mol. Formula:
C23H25N3O5

M.W.:
423.47

4 activity values

Type:
Unknown

AlogP:
1.15

Polar Surface Area:
104.81

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4590202

Name:
(2R)-1-benzyl-N-(3,4-dioxo-1-phenyl-4-(phenylamino)butan-2-yl)-5-oxopyrroliShow More⌵

Mol. Formula:
C28H27N3O4

M.W.:
469.54

8 activity values

Type:
Unknown

AlogP:
3.11

Polar Surface Area:
95.58

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4588337

Name:
(2R)-N-(4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl)-5-oxo-1-(2-(trifShow More⌵

Mol. Formula:
C26H26F3N3O4

M.W.:
501.51

8 activity values