Compounds

Type:
Unknown

AlogP:
4.03

Polar Surface Area:
58.18

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4548886

Name:
1-(2-Methoxyphenyl)-4-((2-phenyl-1,4-dioxan-2-yl)m
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Mol. Formula:
C22H28N2O3

M.W.:
368.48

Type:
Unknown

AlogP:
2.76

Polar Surface Area:
34.17

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA4741494

Name:
(R)-4-Ethyl-2-methyl-9-phenethyl-1-oxa-4,9-diazasp
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Mol. Formula:
C19H28N2O2

M.W.:
316.45

Type:
Unknown

AlogP:
2.33

Polar Surface Area:
32.78

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA4762816

Name:
12-Methyl-8-phenethyl-4-oxa-8,12-diazadispiro[2.1.
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Mol. Formula:
C19H26N2O2

M.W.:
314.43

Type:
Unknown

AlogP:
2.08

Polar Surface Area:
32.78

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA4759184

Name:
4-isopropyl-2-methyl-9-phenethyl-1-oxa-4,9-diazasp
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Mol. Formula:
C20H30N2O2

M.W.:
330.47

Type:
Unknown

AlogP:
2.72

Polar Surface Area:
32.78

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA4756310

Name:
(R)-9-(2,6-difluorophenethyl)-4-ethyl-2-methyl-1-o
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Mol. Formula:
C19H26F2N2O2

M.W.:
352.43

Type:
Unknown

AlogP:
2.61

Polar Surface Area:
32.78

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA4580139

Name:
cis-2-Phenoxy-N-((3-phenyl-1,4-dioxan-2-yl)methyl)
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Mol. Formula:
C19H23NO3

M.W.:
313.40

Type:
Unknown

AlogP:
2.81

Polar Surface Area:
39.72

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA4777859

Name:
(R)-9-(2,4-difluorophenethyl)-4-ethyl-2-methyl-1-o
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Mol. Formula:
C19H26F2N2O2

M.W.:
352.43

Type:
Unknown

AlogP:
2.61

Polar Surface Area:
32.78

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA4776924

Name:
(R)-4-ethyl-9-(2-fluorophenethyl)-2-methyl-1-oxa-4
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Mol. Formula:
C19H27FN2O2

M.W.:
334.44

Type:
Unknown

AlogP:
2.47

Polar Surface Area:
32.78

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA4754130

Name:
(R)-4-ethyl-9-(3-fluorophenethyl)-2-methyl-1-oxa-4
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Mol. Formula:
C19H27FN2O2

M.W.:
334.44

Type:
Unknown

AlogP:
2.47

Polar Surface Area:
32.78

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA4752386

Name:
(R)-2-ethyl-4-methyl-9-phenethyl-1-oxa-4,9-diazasp
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Mol. Formula:
C19H28N2O2

M.W.:
316.45

Type:
Unknown

AlogP:
2.33

Polar Surface Area:
32.78

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA4792905

Name:
4-(1-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)-
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Mol. Formula:
C27H35N3O3

M.W.:
449.60

21 activity values

7 unique targets

Type:
Unknown

AlogP:
4.66

Polar Surface Area:
57.94

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4789005

Name:
(R)-4-cyclopropyl-2-methyl-9-phenethyl-1-oxa-4,9-d
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Mol. Formula:
C20H28N2O2

M.W.:
328.46

Type:
Unknown

AlogP:
2.47

Polar Surface Area:
32.78

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA4788650

Name:
(R)-4-ethyl-9-(4-fluorophenethyl)-2-methyl-1-oxa-4
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Mol. Formula:
C19H27FN2O2

M.W.:
334.44

Type:
Unknown

AlogP:
2.47

Polar Surface Area:
32.78

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA4788144

Name:
4-(1-(5-(4-(2-chlorophenyl)piperazin-1-yl)pentyl)-
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Mol. Formula:
C27H34ClN3O2

M.W.:
468.04

Type:
Unknown

AlogP:
5.69

Polar Surface Area:
48.71

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4797460

Name:
4-(1-(3-(4-(2-methoxyphenyl)piperazin-1-yl)propyl)
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Mol. Formula:
C26H33N3O3

M.W.:
435.57

Type:
Unknown

AlogP:
4.27

Polar Surface Area:
57.94

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4461115

Name:
cis-2-(2,6-Dimethoxyphenoxy)-N-((3-phenyl-1,4-diox
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Mol. Formula:
C21H27NO5

M.W.:
373.45

Type:
Unknown

AlogP:
2.83

Polar Surface Area:
58.18

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4466677

Name:
1-((6,6-Diphenyl-1,4-dioxan-2-yl)methyl)-4-(2-meth
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Mol. Formula:
C28H32N2O3

M.W.:
444.58

9 activity values

7 unique targets

Type:
Unknown

AlogP:
4.18

Polar Surface Area:
34.17

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4465749

Name:
cis-2-(2-Methoxyphenoxy)-N-((3-phenyl-1,4-dioxan-2
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Mol. Formula:
C20H25NO4

M.W.:
343.42