Compounds

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 dihydrochlor
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Mol. Formula:
C22H32Cl2N2O2

M.W.:
427.42

Type:
Unknown

AlogP:
3.11

Polar Surface Area:
24.94

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4518586

Name:
1,4-bis(4-fluorophenethyl)piperazine dihydrochlori
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Mol. Formula:
C20H26Cl2F2N2

M.W.:
403.34

Type:
Unknown

AlogP:
3.37

Polar Surface Area:
6.48

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA4752068

Name:
[(2R,3R,11bR)-3-isobutyl-9,10-dimethoxy-2,3,4,6,7,
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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

ALA4792500

Name:
(2S,3R,11bR)-3-isobutyl-9,10-bis(trideuteriomethox
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Cas Number:
1583277-32-0

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

ALA4860699

Name:
2-Hydroxy-3-isobutyl-9,10-dimethoxy-1,3,4,6,7,11b-
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Mol. Formula:
C20H28N2O3

M.W.:
344.46

4 activity values

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,
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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-h
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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

ALA4878776

Name:
9-(Cyclopropylmethoxy)-10-ethoxy-3-isobutyl-1,3,4,
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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

ALA4877457

Name:
3-Isobutyl-10-isopropoxy-9-propoxy-1,3,4,6,7,11b-h
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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
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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-hexa
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Mol. Formula:
C21H33NO3

M.W.:
347.50

4 activity values

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

ALA4849938

Name:
10-Ethoxy-3-isobutyl-9-methoxy-1,3,4,6,7,11b-hexah
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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,
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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

ALA4864621

Name:
9-Ethoxy-3-isobutyl-10-propoxy-1,3,4,6,7,11b-hexah
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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,
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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

ALA4871559

Name:
9-Ethoxy-10-(3-fluoropropoxy)-3-isobutyl-1,3,4,6,7
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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,
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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

ALA4473454

Name:
1,4-diphenethylpiperazine dihydrochloride

Mol. Formula:
C20H28Cl2N2

M.W.:
367.36