Compounds

ALA5267506

Name:
1-(4-ethoxyphenyl)-3-(4-ethylphenyl)prop-2-en-1-one

Mol. Formula:
C19H20O2

M.W.:
280.37

Type:
---

AlogP:
4.54

Polar Surface Area:
26.30

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA5267475

Name:
(E)-1-methyl-4-(4-((2-phenylhydrazineylidene)methyl)phenyl)piperazine

Mol. Formula:
C18H22N4

M.W.:
294.40

Type:
---

AlogP:
2.88

Polar Surface Area:
30.87

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA5267147

Name:
N-(4-chlorophenyl)-3-(1-((4-oxo-2-phenyl-4H-chromen-6-yl)methyl)-1H-1,2,3-tShow More⌵

Mol. Formula:
C27H21ClN4O3

M.W.:
484.94

Type:
---

AlogP:
5.32

Polar Surface Area:
90.02

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA5266337

Name:
3-(1-((2-(4-chlorophenyl)-4-oxo-4H-chromen-6-yl)methyl)-1H-1,2,3-triazol-4-Show More⌵

Mol. Formula:
C28H23ClN4O3

M.W.:
498.97

Type:
---

AlogP:
5.63

Polar Surface Area:
90.02

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA5266061

Name:
6-methoxy-3-(4-(trifluoromethyl)phenyl)-2H-chromen-2-one

Mol. Formula:
C17H11F3O3

M.W.:
320.27

Type:
---

AlogP:
4.49

Polar Surface Area:
39.44

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA5266055

Name:
3-(1-((4-oxo-2-phenyl-4H-chromen-6-yl)methyl)-1H-1,2,3-triazol-4-yl)-N-phenShow More⌵

Mol. Formula:
C27H22N4O3

M.W.:
450.50

Type:
---

AlogP:
4.67

Polar Surface Area:
90.02

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA5266018

Name:
N-(4-chlorophenyl)-3-(1-((2-(4-chlorophenyl)-4-oxo-4H-chromen-6-yl)methyl)-Show More⌵

Mol. Formula:
C27H20Cl2N4O3

M.W.:
519.39

Type:
---

AlogP:
5.98

Polar Surface Area:
90.02

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA5265848

Name:
2-((1H-indol-2-yl)methylene)-6-methoxybenzofuran-3(2H)-one

Mol. Formula:
C18H13NO3

M.W.:
291.31

Type:
---

AlogP:
3.79

Polar Surface Area:
51.32

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA5282644

Name:
1-(4-(((2,3-dihydro-1H-inden-1-ylidene)amino)oxy)phenyl)-3-(p-tolyl)prop-2-Show More⌵

Mol. Formula:
C25H21NO2

M.W.:
367.45

Type:
---

AlogP:
5.62

Polar Surface Area:
38.66

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA5282273

Name:
1-(4-methoxyphenyl)-3-(4-(((1-phenylethylidene)amino)oxy)phenyl)prop-2-en-1Show More⌵

Mol. Formula:
C24H21NO3

M.W.:
371.44

Type:
---

AlogP:
5.39

Polar Surface Area:
47.89

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA5282218

Name:
(5R)-5-(3,4-dichlorophenyl)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazole

Mol. Formula:
C16H13Cl2NO

M.W.:
306.19

Type:
---

AlogP:
5.17

Polar Surface Area:
21.59

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA5282177

Name:
5-(1-((2-(4-chlorophenyl)-4-oxo-4H-chromen-6-yl)methyl)-1H-1,2,3-triazol-4-Show More⌵

Mol. Formula:
C29H25ClN4O3

M.W.:
513.00

Type:
---

AlogP:
6.10

Polar Surface Area:
90.02

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA5281685

Name:
5-{6-hydroxy-2-(4-hydroxyphenyl)-4-[2-(4-hydroxyphenyl)vinyl]-2,3-dihydrobeShow More⌵

Mol. Formula:
C28H22O6

M.W.:
454.48

Type:
---

AlogP:
5.65

Polar Surface Area:
110.38

HBA:
6

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA5281646

Name:
2-((5-bromofuran-2-yl)methylene)-5-methoxy-2,3-dihydro-1H-inden-1-one

Mol. Formula:
C15H11BrO3

M.W.:
319.15

Type:
---

AlogP:
3.87

Polar Surface Area:
39.44

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA5281335

Name:
7-methoxy-3-(4-phenylpiperazin-1-yl)-4H-chromen-4-one

Mol. Formula:
C20H20N2O3

M.W.:
336.39

Type:
---

AlogP:
3.13

Polar Surface Area:
45.92

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA5281314

Name:
3-(4-(((diphenylmethylene)amino)oxy)phenyl)-1-(4-fluorophenyl)prop-2-en-1-oShow More⌵

Mol. Formula:
C28H20FNO2

M.W.:
421.47

Type:
---

AlogP:
6.55

Polar Surface Area:
38.66

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA5281072

Name:
3-(benzo[d][1,3]dioxol-4-yl)-1-(3-bromophenyl)prop-2-en-1-one

Mol. Formula:
C16H11BrO3

M.W.:
331.17

Type:
---

AlogP:
4.07

Polar Surface Area:
35.53

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA5280309

Name:
2-(1H-indol-1-yl)-7-methoxy-4H-chromen-4-one

Mol. Formula:
C18H13NO3

M.W.:
291.31

Type:
---

AlogP:
3.75

Polar Surface Area:
44.37

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA5280274

Name:
5-methoxy-2-((5-methylfuran-2-yl)methylene)-2,3-dihydro-1H-inden-1-one

Mol. Formula:
C16H14O3

M.W.:
254.28

Type:
---

AlogP:
3.42

Polar Surface Area:
39.44

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA5279769

Name:
4-(2-morpholinoethoxy)-2H-chromen-2-one

Mol. Formula:
C15H17NO4

M.W.:
275.30

Type:
---

AlogP:
1.50

Polar Surface Area:
51.91

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.79

DETAILS