Compounds

ALA4577324

Name:
(E)-3-(4-acetylpiperazin-1-yl)-2-benzylidene-2,3-dihydro-1H-inden-1-one

Mol. Formula:
C22H22N2O2

M.W.:
346.43

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.17

Polar Surface Area:
40.62

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4576068

Name:
(E)-2-(4-methoxybenzylidene)-3-morpholino-2,3-dihydro-1H-inden-1-one

Mol. Formula:
C21H21NO3

M.W.:
335.40

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.35

Polar Surface Area:
38.77

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA4562968

Name:
(E)-2-benzylidene-3-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-inden-1-one

Mol. Formula:
C21H22N2O

M.W.:
318.42

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.26

Polar Surface Area:
23.55

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA4562694

Name:
(E)-2-benzylidene-3-(piperidin-1-yl)-2,3-dihydro-1H-inden-1-one

Mol. Formula:
C21H21NO

M.W.:
303.41

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.49

Polar Surface Area:
20.31

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA4553489

Name:
(E)-2-benzylidene-3-(cycloheptylamino)-2,3-dihydro-1H-inden-1-one

Mol. Formula:
C23H25NO

M.W.:
331.46

1 activity values

1 unique targets

Type:
Unknown

AlogP:
5.32

Polar Surface Area:
29.10

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4542169

Name:
(E)-2-benzylidene-3-thiomorpholino-2,3-dihydro-1H-inden-1-one

Mol. Formula:
C20H19NOS

M.W.:
321.45

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.06

Polar Surface Area:
20.31

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4537242

Name:
(E)-2-benzylidene-3-(phenylamino)-2,3-dihydro-1H-inden-1-one

Mol. Formula:
C22H17NO

M.W.:
311.38

1 activity values

1 unique targets

Type:
Unknown

AlogP:
5.12

Polar Surface Area:
29.10

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4534585

Name:
(E)-3-(cyclohexylamino)-2-(4-methylbenzylidene)-2,3-dihydro-1H-inden-1-one

Mol. Formula:
C23H25NO

M.W.:
331.46

1 activity values

1 unique targets

Type:
Unknown

AlogP:
5.24

Polar Surface Area:
29.10

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4467175

Name:
tert-butyl (1r,4r)-4-((E)-2-benzylidene-3-oxo-2,3-dihydro-1H-inden-1-ylaminShow More⌵

Mol. Formula:
C27H32N2O3

M.W.:
432.56

1 activity values

1 unique targets

Type:
Unknown

AlogP:
5.43

Polar Surface Area:
67.43

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA4463087

Name:
(E)-2-benzylidene-3-(cyclohexylamino)-1-oxo-2,3-dihydro-1H-indene-5-carboniShow More⌵

Mol. Formula:
C23H22N2O

M.W.:
342.44

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.80

Polar Surface Area:
52.89

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA4462633

Name:
(E)-2-(4-chlorobenzylidene)-3-(cyclohexylamino)-2,3-dihydro-1H-inden-1-one

Mol. Formula:
C22H22ClNO

M.W.:
351.88

1 activity values

1 unique targets

Type:
Unknown

AlogP:
5.58

Polar Surface Area:
29.10

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4462024

Name:
(E)-2-benzylidene-3-(piperazin-1-yl)-2,3-dihydro-1H-inden-1-one

Mol. Formula:
C20H20N2O

M.W.:
304.39

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.91

Polar Surface Area:
32.34

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA4461968

Name:
(1R,3R,E)-2-benzylidene-3-(cyclohexylamino)-2,3-dihydro-1H-inden-1-ol

Mol. Formula:
C22H25NO

M.W.:
319.45

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.78

Polar Surface Area:
32.26

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA4444376

Name:
(E)-2-benzylidene-3-(cyclopentylamino)-2,3-dihydro-1H-inden-1-one

Mol. Formula:
C21H21NO

M.W.:
303.41

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.54

Polar Surface Area:
29.10

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA4441444

Name:
(E)-4-((1-(cyclohexylamino)-3-oxo-1H-inden-2(3H)-ylidene)methyl)benzonitrilShow More⌵

Mol. Formula:
C23H22N2O

M.W.:
342.44

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.80

Polar Surface Area:
52.89

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

BCI-215

Name:
(E)-2-benzylidene-5-bromo-3-(cyclohexylamino)-2,3-dihydro-1H-inden-1-one

Mol. Formula:
C22H22BrNO

M.W.:
396.33

2 activity values

2 unique targets

Type:
Unknown

AlogP:
5.69

Polar Surface Area:
29.10

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4436882

Name:
N-((1r,4S)-4-((E)-2-benzylidene-3-oxo-2,3-dihydro-1H-inden-1-ylamino)cyclohShow More⌵

Mol. Formula:
C32H38N4O3S

M.W.:
558.75

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.75

Polar Surface Area:
99.33

HBA:
5

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA4436546

Name:
(E)-2-benzylidene-3-morpholino-2,3-dihydro-1H-inden-1-one

Mol. Formula:
C20H19NO2

M.W.:
305.38

3 activity values

2 unique targets

Type:
Unknown

AlogP:
3.34

Polar Surface Area:
29.54

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.80

DETAILS