Compounds

Type:
Small molecule

AlogP:
2.58

Polar Surface Area:
41.49

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA230203

Name:
(R)-N-benzyl-2-(3-(2-(2-hydroxy-2-(4-hydroxy-3-(hy
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Mol. Formula:
C26H30N2O4

M.W.:
434.54

3 activity values

Type:
Small molecule

AlogP:
2.61

Polar Surface Area:
101.82

HBA:
5

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA166047

Name:
4-(2-Hydroxy-3-isopropylamino-propoxy)-5,6,7,8,9,9
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Mol. Formula:
C19H29NO3

M.W.:
319.45

Type:
Small molecule

AlogP:
2.67

Polar Surface Area:
61.72

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA167336

Name:
4-(3-tert-Butylamino-2-hydroxy-propoxy)-5,6,7,8,9,
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Mol. Formula:
C20H31NO3

M.W.:
333.47

Type:
Small molecule

AlogP:
3.06

Polar Surface Area:
61.72

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA355038

Name:
1-(2-Hydroxy-3-isopropylamino-propoxy)-5,6,7,8,9,9
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Mol. Formula:
C19H29NO3

M.W.:
319.45

Type:
Small molecule

AlogP:
2.67

Polar Surface Area:
61.72

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA167659

Name:
1-(3-tert-Butylamino-2-hydroxy-propoxy)-5,6,7,8,9,
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Mol. Formula:
C20H31NO3

M.W.:
333.47

Type:
Small molecule

AlogP:
3.06

Polar Surface Area:
61.72

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA423078

Name:
1-[2-(3,4-Dimethoxy-phenyl)-ethylamino]-3-(5,6,7,8
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Mol. Formula:
C26H35NO4

M.W.:
425.57

Type:
Small molecule

AlogP:
4.42

Polar Surface Area:
59.95

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA167535

Name:
1-(5,6,7,8,9,9a-Hexahydro-4bH-benzo[3,4]cyclobuta[
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Mol. Formula:
C19H29NO2

M.W.:
303.45

Type:
Small molecule

AlogP:
3.57

Polar Surface Area:
41.49

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA167524

Name:
4-{3-[2-(3,4-Dimethoxy-phenyl)-ethylamino]-2-hydro
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Mol. Formula:
C26H35NO5

M.W.:
441.57

Type:
Small molecule

AlogP:
3.52

Polar Surface Area:
80.18

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA354452

Name:
1-(4b,5,6,7,8,8a-Hexahydro-biphenylen-1-yloxy)-3-i
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Mol. Formula:
C18H27NO2

M.W.:
289.42

Type:
Small molecule

AlogP:
3.18

Polar Surface Area:
41.49

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA168023

Name:
1-tert-Butylamino-3-(5,6,7,8,9,9a-hexahydro-4bH-be
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Mol. Formula:
C20H31NO2

M.W.:
317.47

Type:
Small molecule

AlogP:
3.96

Polar Surface Area:
41.49

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA164894

Name:
1-(4b,5,6,7,8,8a-Hexahydro-biphenylen-2-yloxy)-3-i
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Mol. Formula:
C18H27NO2

M.W.:
289.42

Type:
Small molecule

AlogP:
3.18

Polar Surface Area:
41.49

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA167385

Name:
1-(5,6,7,8,9,9a-Hexahydro-4bH-benzo[3,4]cyclobuta[
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Mol. Formula:
C19H29NO2

M.W.:
303.45

Type:
Small molecule

AlogP:
3.57

Polar Surface Area:
41.49

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA165043

Name:
N-[4-(2-Hydroxy-3-isopropylamino-propoxy)-5,6,7,8,
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Mol. Formula:
C23H36N2O3

M.W.:
388.55

Type:
Small molecule

AlogP:
4.31

Polar Surface Area:
70.59

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA163971

Name:
5-(3-tert-Butylamino-2-hydroxy-propoxy)-1,3,4,8b-t
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Mol. Formula:
C19H29NO3

M.W.:
319.45

Type:
Small molecule

AlogP:
2.67

Polar Surface Area:
61.72

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA168135

Name:
1-{3-[2-(3,4-Dimethoxy-phenyl)-ethylamino]-2-hydro
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Mol. Formula:
C26H35NO5

M.W.:
441.57

Type:
Small molecule

AlogP:
3.52

Polar Surface Area:
80.18

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA353841

Name:
1-tert-Butylamino-3-(5,6,7,8,9,9a-hexahydro-4bH-be
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Mol. Formula:
C20H31NO2

M.W.:
317.47

4 activity values

Type:
Small molecule

AlogP:
3.96

Polar Surface Area:
41.49

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA167293

Name:
1-tert-Butylamino-3-(4b,5,6,7,8,8a-hexahydro-biphe
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Mol. Formula:
C19H29NO2

M.W.:
303.45