Compounds

Type:
---

AlogP:
9.61

Polar Surface Area:
130.36

HBA:
8

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

Lipstatin

Name:
Lipstatin

Mol. Formula:
C29H49NO5

M.W.:
491.71

Type:
---

AlogP:
6.43

Polar Surface Area:
81.70

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
21

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA5173192

Name:
(+/-)-Ganodilactone

Mol. Formula:
C42H50O8

M.W.:
682.85

Type:
---

AlogP:
9.61

Polar Surface Area:
130.36

HBA:
8

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA4797179

Name:
(E)-2-(4-hydroxy-3-methoxybenzylidene)-6-((12-hydroxydodecyl)amino)-2,3-dihShow More⌵

Mol. Formula:
C29H39NO4

M.W.:
465.63

Type:
Unknown

AlogP:
6.53

Polar Surface Area:
78.79

HBA:
5

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA4788400

Name:
(E)-6-(di(dec-9-en-1-yl)amino)-2-(4-hydroxy-3-methoxybenzylidene)-2,3-dihydShow More⌵

Mol. Formula:
C37H51NO3

M.W.:
557.82

Type:
Unknown

AlogP:
9.86

Polar Surface Area:
49.77

HBA:
4

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
21

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA4785507

Name:
(E)-2-(2-Chlorobenzylidene)-6-hydroxy-2,3-dihydro-1H-inden-1-one

Mol. Formula:
C16H11ClO2

M.W.:
270.72

Type:
Unknown

AlogP:
3.87

Polar Surface Area:
37.30

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA4782276

Name:
(E)-6-(bis(3,7-dimethyloctyl)amino)-2-(4-hydroxy-3-methoxybenzylidene)-2,3-Show More⌵

Mol. Formula:
C37H55NO3

M.W.:
561.85

Type:
Unknown

AlogP:
9.73

Polar Surface Area:
49.77

HBA:
4

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA4780689

Name:
(E)-6-Hydroxy-2-(2,4,6-trimethoxybenzylidene)-2,3-dihydro-1H-inden-1-one

Mol. Formula:
C19H18O5

M.W.:
326.35

Type:
Unknown

AlogP:
3.24

Polar Surface Area:
64.99

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA4779689

Name:
(E)-2-(3,4-Dichlorobenzylidene)-6-hydroxy-2,3-dihydro-1H-inden-1-one

Mol. Formula:
C16H10Cl2O2

M.W.:
305.16

Type:
Unknown

AlogP:
4.52

Polar Surface Area:
37.30

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA4778007

Name:
(E)-6-Hydroxy-2-(3,4,5-trimethoxybenzylidene)-2,3-dihydro-1H-inden-1-one

Mol. Formula:
C19H18O5

M.W.:
326.35

Type:
Unknown

AlogP:
3.24

Polar Surface Area:
64.99

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA4776624

Name:
(E)-2-(4-Hydroxy-3-methoxybenzylidene)-6-(pyrrolidin-1-yl)-2,3-dihydro-1H-iShow More⌵

Mol. Formula:
C21H21NO3

M.W.:
335.40

9 activity values

5 unique targets

Type:
Unknown

AlogP:
3.82

Polar Surface Area:
49.77

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA4765140

Name:
(E)-2-(2,4-Dimethoxybenzylidene)-6-hydroxy-2,3-dihydro-1H-inden-1-one

Mol. Formula:
C18H16O4

M.W.:
296.32

Type:
Unknown

AlogP:
3.23

Polar Surface Area:
55.76

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA4761197

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

Mol. Formula:
C17H14O3

M.W.:
266.30

Type:
Unknown

AlogP:
3.22

Polar Surface Area:
46.53

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA4757866

Name:
(E)-6-(di(hex-5-en-1-yl)amino)-2-(4-hydroxy-3-methoxybenzylidene)-2,3-dihydShow More⌵

Mol. Formula:
C29H35NO3

M.W.:
445.60

Type:
Unknown

AlogP:
6.74

Polar Surface Area:
49.77

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA4756815

Name:
(E)-2-(4-Hydroxy-3-methoxybenzylidene)-6-methoxy-2,3-dihydro-1H-inden-1-one

Mol. Formula:
C18H16O4

M.W.:
296.32

Type:
Unknown

AlogP:
3.23

Polar Surface Area:
55.76

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA4752404

Name:
(E)-2-(4-Hydroxy-3-methoxybenzylidene)-6-propoxy-2,3-dihydro-1H-inden-1-one

Mol. Formula:
C20H20O4

M.W.:
324.38

Type:
Unknown

AlogP:
4.01

Polar Surface Area:
55.76

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA4751728

Name:
(E)-6-amino-2-(4-hydroxy-3-methoxybenzylidene)-2,3-dihydro-1H-inden-1-one

Mol. Formula:
C17H15NO3

M.W.:
281.31

Type:
Unknown

AlogP:
2.81

Polar Surface Area:
72.55

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4750178

Name:
(E)-6-(hex-5-en-1-ylamino)-2-(4-hydroxy-3-methoxybenzylidene)-2,3-dihydro-1Show More⌵

Mol. Formula:
C23H25NO3

M.W.:
363.46

Type:
Unknown

AlogP:
4.99

Polar Surface Area:
58.56

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4748399

Name:
(E)-6-(Diethylamino)-2-(4-hydroxy-3-methoxybenzylidene)-2,3-dihydro-1H-indeShow More⌵

Mol. Formula:
C21H23NO3

M.W.:
337.42

Type:
Unknown

AlogP:
4.07

Polar Surface Area:
49.77

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA4747550

Name:
(E)-6-(dec-9-en-1-ylamino)-2-(4-hydroxy-3-methoxybenzylidene)-2,3-dihydro-1Show More⌵

Mol. Formula:
C27H33NO3

M.W.:
419.57