Compounds

ALA5272414

Name:
1-(4-(1H-imidazol-1-yl)phenyl)-3-(4-fluorophenyl)prop-2-en-1-one

Mol. Formula:
C18H13FN2O

M.W.:
292.31

Type:
---

AlogP:
3.91

Polar Surface Area:
34.89

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA5272342

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

Mol. Formula:
C17H16O3

M.W.:
268.31

Type:
---

AlogP:
3.69

Polar Surface Area:
46.53

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA5272242

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

Mol. Formula:
C27H21ClN4O3

M.W.:
484.94

Type:
---

AlogP:
4.99

Polar Surface Area:
90.02

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA5272227

Name:
1-(4-methoxyphenyl)-3-(4-(((1-(4-methoxyphenyl)ethylidene)amino)oxy)phenyl)Show More⌵

Mol. Formula:
C25H23NO4

M.W.:
401.46

Type:
---

AlogP:
5.40

Polar Surface Area:
57.12

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA5271643

Name:
Methyl 2-(4'-(3-(4-((dimethylamino)methyl)-3-hydroxyphenyl)acryloyl)-2-fluoShow More⌵

Mol. Formula:
C28H28FNO4

M.W.:
461.53

Type:
---

AlogP:
5.43

Polar Surface Area:
66.84

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA5271382

Name:
2-ethyl-3-hydroxy-6-methyl-1-(3-(4-(((2-oxo-2H-chromen-7-yl)oxy)methyl)-1H-Show More⌵

Mol. Formula:
C23H24N4O5

M.W.:
436.47

Type:
---

AlogP:
2.79

Polar Surface Area:
112.38

HBA:
9

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA5270783

Name:
N-(4-fluorophenyl)-5-(1-((4-oxo-2-phenyl-4H-chromen-6-yl)methyl)-1H-1,2,3-tShow More⌵

Mol. Formula:
C29H25FN4O3

M.W.:
496.54

Type:
---

AlogP:
5.59

Polar Surface Area:
90.02

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA5270573

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

Mol. Formula:
C16H11ClO3

M.W.:
286.71

Type:
---

AlogP:
3.96

Polar Surface Area:
35.53

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA5270203

Name:
Methyl 2-(2-fluoro-4'-(3-(3-hydroxy-4-(pyrrolidin-1-ylmethyl)phenyl)acryloyShow More⌵

Mol. Formula:
C30H30FNO4

M.W.:
487.57

Type:
---

AlogP:
5.97

Polar Surface Area:
66.84

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA5269911

Name:
[(4-fluorophenyl)[(4-nitrophenyl)methyl]carbamoyl]methyl 4-(4-nitrophenyl)pShow More⌵

Mol. Formula:
C26H24FN5O5S2

M.W.:
569.64

Type:
---

AlogP:
5.02

Polar Surface Area:
113.07

HBA:
8

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA5269900

Name:
2-(6-methoxy-1H-indol-1-yl)-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

ALA5269769

Name:
3-(4-(((1,3-bis(4-methoxyphenyl)allylidene)amino)oxy)phenyl)-1-(4-fluoropheShow More⌵

Mol. Formula:
C32H26FNO4

M.W.:
507.56

Type:
---

AlogP:
7.24

Polar Surface Area:
57.12

HBA:
5

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA5269725

Name:
2-(4-(2-cyclopentylethoxy)benzylidene)-6-methoxybenzofuran-3(2H)-one

Mol. Formula:
C23H24O4

M.W.:
364.44

Type:
---

AlogP:
5.27

Polar Surface Area:
44.76

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA5269388

Name:
1-(4-(1H-imidazol-1-yl)phenyl)-3-(3-fluorophenyl)prop-2-en-1-one

Mol. Formula:
C18H13FN2O

M.W.:
292.31

Type:
---

AlogP:
3.91

Polar Surface Area:
34.89

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA5269376

Name:
5-(3,4-dichlorophenyl)-3-(p-tolyl)-4,5-dihydroisoxazole

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

ALA5268889

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

Mol. Formula:
C30H27ClN4O3

M.W.:
527.02

Type:
---

AlogP:
6.41

Polar Surface Area:
90.02

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA5268561

Name:
(E)-2-benzylidene-7-methoxy-3,4-dihydronaphthalen-1(2H)-one

Mol. Formula:
C18H16O2

M.W.:
264.32

Type:
---

AlogP:
3.91

Polar Surface Area:
26.30

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA5268461

Name:
[2,2,6,6-tetramethyl-4-(4-{[methyl(prop-2-yn-1-yl)amino]methyl}benzamido)piShow More⌵

Mol. Formula:
C21H30N3O2

M.W.:
356.49

Type:
---

AlogP:
2.85

Polar Surface Area:
55.48

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA5268003

Name:
3-(4-bromophenyl)-1-(1H-indol-3-yl)prop-2-en-1-one

Mol. Formula:
C17H12BrNO

M.W.:
326.19

Type:
---

AlogP:
4.83

Polar Surface Area:
32.86

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.54

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