Compounds

Type:
Unknown

AlogP:
4.20

Polar Surface Area:
41.93

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4877457

Name:
3-Isobutyl-10-isopropoxy-9-propoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]Show More⌵

Mol. Formula:
C23H37NO3

M.W.:
375.55

Type:
Unknown

AlogP:
4.59

Polar Surface Area:
41.93

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA4875286

Name:
10-Ethoxy-9-(3-fluoropropoxy)-3-isobutyl-1,3,4,6,7,11b-hexahydro-2H-pyrido[Show More⌵

Mol. Formula:
C22H34FNO3

M.W.:
379.52

Type:
Unknown

AlogP:
4.15

Polar Surface Area:
41.93

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4874676

Name:
3-Isobutyl-10-methoxy-9-propoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoShow More⌵

Mol. Formula:
C21H33NO3

M.W.:
347.50

Type:
Unknown

AlogP:
3.81

Polar Surface Area:
41.93

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA4871559

Name:
9-Ethoxy-10-(3-fluoropropoxy)-3-isobutyl-1,3,4,6,7,11b-hexahydro-2H-pyrido[Show More⌵

Mol. Formula:
C22H34FNO3

M.W.:
379.52

Type:
Unknown

AlogP:
4.15

Polar Surface Area:
41.93

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4869605

Name:
10-Ethoxy-3-isobutyl-9-(3-methoxypropoxy)-1,3,4,6,7,11b-hexahydro-2H-pyridoShow More⌵

Mol. Formula:
C23H37NO4

M.W.:
391.55

Type:
Unknown

AlogP:
3.83

Polar Surface Area:
51.16

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4867332

Name:
3-Isobutyl-10-methoxy-9-(3-methoxypropoxy)-1,3,4,6,7,11b-hexahydro-2H-pyridShow More⌵

Mol. Formula:
C22H35NO4

M.W.:
377.53

Type:
Unknown

AlogP:
3.44

Polar Surface Area:
51.16

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4867056

Name:
3-Isobutyl-9,10-dimethoxy-2-methyl-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]Show More⌵

Mol. Formula:
C20H31NO3

M.W.:
333.47

Type:
Unknown

AlogP:
3.42

Polar Surface Area:
41.93

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.92

DETAILS

ALA4864621

Name:
9-Ethoxy-3-isobutyl-10-propoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoqShow More⌵

Mol. Formula:
C22H35NO3

M.W.:
361.53

Type:
Unknown

AlogP:
4.20

Polar Surface Area:
41.93

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA4862715

Name:
9-Ethoxy-3-isobutyl-10-(3-methoxypropoxy)-1,3,4,6,7,11b-hexahydro-2H-pyridoShow More⌵

Mol. Formula:
C23H37NO4

M.W.:
391.55

Type:
Unknown

AlogP:
3.83

Polar Surface Area:
51.16

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4860699

Name:
2-Hydroxy-3-isobutyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-aShow More⌵

Mol. Formula:
C20H28N2O3

M.W.:
344.46

Type:
Unknown

AlogP:
2.92

Polar Surface Area:
65.72

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA4857619

Name:
9,10-Bis(cyclopropylmethoxy)-3-isobutyl-1,3,4,6,7,11b-hexahydro-2H-pyrido[2Show More⌵

Mol. Formula:
C25H37NO3

M.W.:
399.58

Type:
Unknown

AlogP:
4.59

Polar Surface Area:
41.93

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4856324

Name:
3-Isobutyl-9-isopropoxy-10-propoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]Show More⌵

Mol. Formula:
C23H37NO3

M.W.:
375.55

Type:
Unknown

AlogP:
4.59

Polar Surface Area:
41.93

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA4849938

Name:
10-Ethoxy-3-isobutyl-9-methoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoqShow More⌵

Mol. Formula:
C20H31NO3

M.W.:
333.47

Type:
Unknown

AlogP:
3.42

Polar Surface Area:
41.93

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.90

DETAILS

ALA4849901

Name:
10-(Cyclopropylmethoxy)-9-ethoxy-3-isobutyl-1,3,4,6,7,11b-hexahydro-2H-pyriShow More⌵

Mol. Formula:
C23H35NO3

M.W.:
373.54

Type:
Unknown

AlogP:
4.20

Polar Surface Area:
41.93

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4792500

Name:
(2S,3R,11bR)-3-isobutyl-9,10-bis(trideuteriomethoxy)-2,3,4,6,7,11b-hexahydrShow More⌵

Mol. Formula:
C19H29NO3

M.W.:
325.48

Type:
Unknown

AlogP:
3.03

Polar Surface Area:
41.93

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.93

DETAILS

ALA4754647

Name:
(2R,3R,11bR)-3-isobutyl-9,10-bis(trideuteriomethoxy)-2,3,4,6,7,11b-hexahydrShow More⌵

Mol. Formula:
C19H29NO3

M.W.:
325.48

Type:
Unknown

AlogP:
3.03

Polar Surface Area:
41.93

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.93

DETAILS

ALA4752068

Name:
[(2R,3R,11bR)-3-isobutyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]Show More⌵

Mol. Formula:
C24H38N2O5

M.W.:
434.58

Type:
Unknown

AlogP:
2.68

Polar Surface Area:
94.25

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4532351

Name:
1-(4-methoxyphenethyl)-4-phenethylpiperazine dihydrochloride

Mol. Formula:
C21H30Cl2N2O

M.W.:
397.39

2 activity values

Type:
Unknown

AlogP:
3.10

Polar Surface Area:
15.71

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4531091

Name:
1,4-bis(3-methoxyphenethyl)piperazine dihydrochloride

Mol. Formula:
C22H32Cl2N2O2

M.W.:
427.42

2 activity values