Compounds

Type:
Small molecule

AlogP:
3.90

Polar Surface Area:
38.77

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA473766

Name:
2-{4-[(Diethylamino)methyl]benzyl}-5,6-dimethoxybe
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Mol. Formula:
C22H27NO4

M.W.:
369.46

Type:
Small molecule

AlogP:
3.73

Polar Surface Area:
48.00

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA473606

Name:
2-{3-[(Diethylamino)methyl]benzyl}-5,6-dimethoxybe
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Mol. Formula:
C22H27NO4

M.W.:
369.46

Type:
Small molecule

AlogP:
3.73

Polar Surface Area:
48.00

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA472814

Name:
2-{4-[(Diethylamino)methyl]benzyl}-5,6-dimethoxy2,
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Mol. Formula:
C23H29NO3

M.W.:
367.49

Type:
Small molecule

AlogP:
4.14

Polar Surface Area:
38.77

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA472813

Name:
2-{3-[(Diethylamino)methyl]benzyl}-5,6-dimethoxy-2
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Mol. Formula:
C23H29NO3

M.W.:
367.49

Type:
Small molecule

AlogP:
4.14

Polar Surface Area:
38.77

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA472812

Name:
2-{3-[(Ethylmethylamino)methyl]benzyl}-5,6-dimetho
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Mol. Formula:
C21H25NO4

M.W.:
355.43

Type:
Small molecule

AlogP:
3.34

Polar Surface Area:
48.00

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA474190

Name:
2-{4-[(Ethylmethylamino)methyl]benzyl}-5,6-dimetho
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Mol. Formula:
C22H27NO3

M.W.:
353.46

Type:
Small molecule

AlogP:
3.75

Polar Surface Area:
38.77

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA515891

Name:
2-{3-[(Ethylmethylamino)methyl]benzyl}-5,6-dimetho
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Mol. Formula:
C22H27NO3

M.W.:
353.46

Type:
Small molecule

AlogP:
3.75

Polar Surface Area:
38.77

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA474578

Name:
2-{4-[(Dimethylamino)methyl]benzyl}-5,6-dimethoxy-
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Mol. Formula:
C21H25NO3

M.W.:
339.44

Type:
Small molecule

AlogP:
3.36

Polar Surface Area:
38.77

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA474577

Name:
2-{3-[(Dimethylamino)methyl]benzyl}-5,6-dimethoxy-
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Mol. Formula:
C21H25NO3

M.W.:
339.44

Type:
Small molecule

AlogP:
3.36

Polar Surface Area:
38.77

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA475162

Name:
(Z)-5,6-Dimethoxy-2-{3-[(piperidin-1-yl)methyl]-be
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Mol. Formula:
C23H25NO4

M.W.:
379.46

Type:
Small molecule

AlogP:
4.31

Polar Surface Area:
48.00

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA514186

Name:
(E)-5,6-Dimethoxy-2-{4-[(piperidin-1-yl)methyl]-be
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Mol. Formula:
C24H27NO3

M.W.:
377.48

Type:
Small molecule

AlogP:
4.51

Polar Surface Area:
38.77

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA475161

Name:
(E)-5,6-Dimethoxy-2-{3-[(piperidin-1-yl)methyl]-be
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Mol. Formula:
C24H27NO3

M.W.:
377.48

Type:
Small molecule

AlogP:
4.51

Polar Surface Area:
38.77

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA462837

Name:
(Z)-5,6-Dimethoxy-2-{4-[(pyrrolidin-1-yl)methyl]-b
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Mol. Formula:
C22H23NO4

M.W.:
365.43

Type:
Small molecule

AlogP:
3.92

Polar Surface Area:
48.00

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA518868

Name:
(Z)-5,6-Dimethoxy-2-{3-[(pyrrolidin-1-yl)methyl]-b
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Mol. Formula:
C22H23NO4

M.W.:
365.43

Type:
Small molecule

AlogP:
3.92

Polar Surface Area:
48.00

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA465028

Name:
(E)-5,6-Dimethoxy-2-{4-[(pyrrolidin-1-yl)methyl]-b
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Mol. Formula:
C23H25NO3

M.W.:
363.46

Type:
Small molecule

AlogP:
4.12

Polar Surface Area:
38.77

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA465027

Name:
(E)-5,6-Dimethoxy-2-{3-[(pyrrolidin-1-yl)methyl]-b
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Mol. Formula:
C23H25NO3

M.W.:
363.46

Type:
Small molecule

AlogP:
4.12

Polar Surface Area:
38.77

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA464425

Name:
(Z)-2-{4-[(Diethylamino)methyl]benzylidene}-5,6-di
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Mol. Formula:
C22H25NO4

M.W.:
367.45

Type:
Small molecule

AlogP:
4.16

Polar Surface Area:
48.00

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA500309

Name:
(Z)-2-{3-[(Diethylamino)methyl]benzylidene}-5,6-di
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Mol. Formula:
C22H25NO4

M.W.:
367.45