Compounds

Type:
---

AlogP:
2.91

Polar Surface Area:
64.35

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA5208534

Name:
(E)-6-(cyclopentyloxy)-5-methoxy-2-(pyridin-2-ylmethylene)-2,3-dihydro-1H-iShow More⌵

Mol. Formula:
C21H21NO3

M.W.:
335.40

Type:
---

AlogP:
4.23

Polar Surface Area:
48.42

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA5206222

Name:
5-(Cyclopropylmethoxy)-6-methoxy-2-(piperidin-4-ylmethyl)-2,3-dihydro-1H-inShow More⌵

Mol. Formula:
C20H27NO3

M.W.:
329.44

Type:
---

AlogP:
3.23

Polar Surface Area:
47.56

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA5206123

Name:
5-Isobutoxy-6-methoxy-2-(piperidin-4-ylmethyl)-2,3-dihydro-1H-inden-1-one

Mol. Formula:
C20H29NO3

M.W.:
331.46

Type:
---

AlogP:
3.47

Polar Surface Area:
47.56

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA5205696

Name:
rac-6-ethyl-2-(2-hydroxyethyl)-2,8-dimethyl-4-(2-methylprop-1-enyl)-3,4-dihShow More⌵

Mol. Formula:
C21H28N2O3

M.W.:
356.47

Type:
---

AlogP:
3.70

Polar Surface Area:
64.35

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA5204540

Name:
(2R,4S)-6-ethyl-2-(2-hydroxyethyl)-2-methyl-4-(2-methylprop-1-enyl)-8-(trifShow More⌵

Mol. Formula:
C21H25F3N2O3

M.W.:
410.44

Type:
---

AlogP:
4.41

Polar Surface Area:
64.35

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA5203741

Name:
rac-2-(2-hydroxyethyl)-2,6-dimethyl-4-(2-methylprop-1-enyl)-3,4-dihydro-2H-Show More⌵

Mol. Formula:
C19H24N2O3

M.W.:
328.41

Type:
---

AlogP:
2.91

Polar Surface Area:
64.35

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA5203549

Name:
rac-2-(2-hydroxyethyl)-2-methyl-4-(2-methylprop-1-enyl)-6-propyl-3,4-dihydrShow More⌵

Mol. Formula:
C21H28N2O3

M.W.:
356.47

Type:
---

AlogP:
3.78

Polar Surface Area:
64.35

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA5202380

Name:
6-(Cyclopentyloxy)-5-methoxy-2-(pyridin-3-ylmethyl)-2,3-dihydro-1H-inden-1-Show More⌵

Mol. Formula:
C21H23NO3

M.W.:
337.42

3 activity values

Type:
---

AlogP:
4.01

Polar Surface Area:
48.42

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA5202332

Name:
rac-2-(2-hydroxyethyl)-2,6-dimethyl-4-(2-methylprop-1-enyl)-3,4-dihydro-2H-Show More⌵

Mol. Formula:
C20H25NO3

M.W.:
327.42

Type:
---

AlogP:
3.51

Polar Surface Area:
51.46

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA5201432

Name:
rac-2,6-dimethyl-4-(2-methylprop-1-enyl)-2-vinyl-3,4-dihydro-2H-pyrano[3,2-Show More⌵

Mol. Formula:
C20H23NO2

M.W.:
309.41

Type:
---

AlogP:
4.32

Polar Surface Area:
31.23

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA5200449

Name:
rac-2-(2-aminoethyl)-2,6-dimethyl-4-(2-methylprop-1-enyl)-3,4-dihydro-2H-pyShow More⌵

Mol. Formula:
C20H26N2O2

M.W.:
326.44

Type:
---

AlogP:
3.48

Polar Surface Area:
57.25

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA5200298

Name:
rac-2-(2,6-dimethyl-4-(2-methylprop-1-enyl)-5-oxo-3,4,5,6-tetrahydro-2H-pyrShow More⌵

Mol. Formula:
C20H23NO4

M.W.:
341.41

Type:
---

AlogP:
3.60

Polar Surface Area:
68.53

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA5199634

Name:
6-Isobutoxy-5-methoxy-2-(piperidin-4-ylmethyl)-2,3-dihydro-1H-inden-1-one

Mol. Formula:
C20H29NO3

M.W.:
331.46

Type:
---

AlogP:
3.47

Polar Surface Area:
47.56

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA5197754

Name:
(2R,4S)-6,8-diethyl-2-(2-hydroxyethyl)-2-methyl-4-(2-methylprop-1-enyl)-3,4Show More⌵

Mol. Formula:
C22H30N2O3

M.W.:
370.49

Type:
---

AlogP:
3.95

Polar Surface Area:
64.35

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA5197051

Name:
5-(Cyclopentyloxy)-6-methoxy-2-(piperidin-4-ylmethyl)-2,3-dihydro-1H-inden-Show More⌵

Mol. Formula:
C21H29NO3

M.W.:
343.47

Type:
---

AlogP:
3.76

Polar Surface Area:
47.56

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA5193480

Name:
rac-9-(2-hydroxyethyl)-5,9-dimethyl-7-(2-methylprop-1-enyl)-8,9-dihydro-5H-Show More⌵

Mol. Formula:
C19H24N2O3

M.W.:
328.41

Type:
---

AlogP:
2.91

Polar Surface Area:
64.35

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA5193320

Name:
rac-6-butyl-2-(2-hydroxyethyl)-2-methyl-4-(2-methylprop-1-enyl)-3,4-dihydroShow More⌵

Mol. Formula:
C22H30N2O3

M.W.:
370.49