Compounds

Type:
Unknown

AlogP:
5.27

Polar Surface Area:
29.54

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4639465

Name:
N-butyl-8-(4-methoxyphenyl)-N-methyl-7-phenyl-non-7-enamide

Mol. Formula:
C27H37NO2

M.W.:
407.60

15 activity values

6 unique targets

Type:
Unknown

AlogP:
6.83

Polar Surface Area:
29.54

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA4637926

Name:
8-(4-methoxyphenyl)-7-phenyl-1-pyrrolidin-1-yl-non-7-en-1-one

Mol. Formula:
C26H33NO2

M.W.:
391.56

Type:
Unknown

AlogP:
6.20

Polar Surface Area:
29.54

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4636695

Name:
6-(4-methoxyphenyl)-5-phenyl-N-[2-(2-pyridyl)ethyl]hept-5-enamide

Mol. Formula:
C27H30N2O2

M.W.:
414.55

Type:
Unknown

AlogP:
5.55

Polar Surface Area:
51.22

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA4635948

Name:
3-(4-methoxyphenyl)-N-methyl-N-pentyl-4-phenyl-but-3-enamide

Mol. Formula:
C23H29NO2

M.W.:
351.49

Type:
Unknown

AlogP:
5.27

Polar Surface Area:
29.54

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4632366

Name:
N-butyl-6-(4-methoxyphenyl)-N-methyl-5-phenyl-hept-5-enamide

Mol. Formula:
C25H33NO2

M.W.:
379.54

Type:
Unknown

AlogP:
6.05

Polar Surface Area:
29.54

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4218813

Name:
3-Ethyl-7-(3-(4-methoxyphenyl)chroman-7-yloxy)heptan-3-ol

Mol. Formula:
C25H34O4

M.W.:
398.54

Type:
Small molecule

AlogP:
5.51

Polar Surface Area:
47.92

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4218584

Name:
Ethyl 6-(3-(4-methoxyphenyl)chroman-7-yloxy)hexanoate

Mol. Formula:
C24H30O5

M.W.:
398.50

Type:
Small molecule

AlogP:
4.92

Polar Surface Area:
53.99

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4217424

Name:
7-(3-(4-Methoxyphenyl)chroman-7-yloxy)-2-methylheptan-2-ol

Mol. Formula:
C24H32O4

M.W.:
384.52

Type:
Small molecule

AlogP:
5.12

Polar Surface Area:
47.92

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4215678

Name:
6-(3-(4-Methoxyphenyl)chroman-7-yloxy)-2-methylhexan-2-ol

Mol. Formula:
C23H30O4

M.W.:
370.49

8 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.73

Polar Surface Area:
47.92

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA147683

Name:
(Z)2-(4-Methoxy-phenyl)-1,3-diphenyl-propenone

Mol. Formula:
C22H18O2

M.W.:
314.38

Type:
Small molecule

AlogP:
5.12

Polar Surface Area:
26.30

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA358349

Name:
(Z)2,3-Diphenyl-1-[4-(2-pyrrolidin-1-yl-ethoxy)-phenyl]-propenone

Mol. Formula:
C27H27NO2

M.W.:
397.52

Type:
Small molecule

AlogP:
5.58

Polar Surface Area:
29.54

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA356992

Name:
(Z)Acetic acid 4-(1-benzoyl-2-phenyl-vinyl)-phenyl ester

Mol. Formula:
C23H18O3

M.W.:
342.39

Type:
Small molecule

AlogP:
5.04

Polar Surface Area:
43.37

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA148115

Name:
(Z)3-(4-Methoxy-phenyl)-1,2-diphenyl-propenone

Mol. Formula:
C22H18O2

M.W.:
314.38

Type:
Small molecule

AlogP:
5.12

Polar Surface Area:
26.30

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA147745

Name:
(Z)1,2-Bis-(4-hydroxy-phenyl)-3-phenyl-propenone

Mol. Formula:
C21H16O3

M.W.:
316.36

Type:
Small molecule

AlogP:
4.52

Polar Surface Area:
57.53

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA146500

Name:
3-(4-Hydroxy-phenyl)-1,2-diphenyl-propenone

Mol. Formula:
C21H16O2

M.W.:
300.36

59 activity values

57 unique targets

Type:
Small molecule

AlogP:
4.82

Polar Surface Area:
37.30

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA358074

Name:
(E)1,2-Bis-(4-hydroxy-phenyl)-3-phenyl-propenone

Mol. Formula:
C21H16O3

M.W.:
316.36

Type:
Small molecule

AlogP:
4.52

Polar Surface Area:
57.53

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA144164

Name:
Acetic acid 4-(3-oxo-2,3-diphenyl-propenyl)-phenyl ester

Mol. Formula:
C23H18O3

M.W.:
342.39

Type:
Small molecule

AlogP:
5.04

Polar Surface Area:
43.37

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA144357

Name:
(E)1,3-Bis-(4-hydroxy-phenyl)-2-phenyl-propenone

Mol. Formula:
C21H16O3

M.W.:
316.36

Type:
Small molecule

AlogP:
4.52

Polar Surface Area:
57.53

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA144864

Name:
(Z)1-(4-Methoxy-phenyl)-2,3-diphenyl-propenone

Mol. Formula:
C22H18O2

M.W.:
314.38