Compounds

ALA5196302

Name:
3-(2-fluoro-6-(trifluoromethyl)benzyl)-5-isopropyl-1-oxa-5-azaspiro[5.5]undShow More⌵

Mol. Formula:
C20H19F4NO3

M.W.:
397.37

2 activity values

1 unique targets

Type:
---

AlogP:
3.66

Polar Surface Area:
46.61

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA5207271

Name:
4-((5-isopropyl-4,9-dioxo-1-oxa-5-azaspiro[5.5]undeca-7,10-dien-3-yl)methylShow More⌵

Mol. Formula:
C20H20N2O3

M.W.:
336.39

2 activity values

1 unique targets

Type:
---

AlogP:
2.38

Polar Surface Area:
70.40

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA5207034

Name:
5-methyl-3-(2-((4-(thiophen-2-yl)phenyl)amino)ethyl)-1-oxa-5-azaspiro[5.5]uShow More⌵

Mol. Formula:
C22H22N2O3S

M.W.:
394.50

2 activity values

1 unique targets

Type:
---

AlogP:
3.71

Polar Surface Area:
58.64

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA5206649

Name:
5-isopropyl-3-(4-(trifluoromethyl)benzyl)-1-oxa-5-azaspiro[5.5]undeca-7,10-Show More⌵

Mol. Formula:
C20H20F3NO3

M.W.:
379.38

2 activity values

1 unique targets

Type:
---

AlogP:
3.52

Polar Surface Area:
46.61

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA5206631

Name:
3-(4-chlorobenzyl)-5-isopropyl-1-oxa-5-azaspiro[5.5]undeca-7,10-diene-4,9-dShow More⌵

Mol. Formula:
C19H20ClNO3

M.W.:
345.83

2 activity values

1 unique targets

Type:
---

AlogP:
3.16

Polar Surface Area:
46.61

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA5204697

Name:
3-(2-hydroxyethyl)-5-methyl-1-oxa-5-azaspiro[5.5]undeca-7,10-diene-4,9-dionShow More⌵

Mol. Formula:
C12H15NO4

M.W.:
237.25

1 activity values

1 unique targets

Type:
---

AlogP:
-0.14

Polar Surface Area:
66.84

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA5202235

Name:
3-(4-((4,9-dioxo-5-phenyl-1-oxa-5-azaspiro[5.5]undeca-7,10-dien-3-yl)methylShow More⌵

Mol. Formula:
C25H19N5O3

M.W.:
437.46

1 activity values

1 unique targets

Type:
---

AlogP:
2.75

Polar Surface Area:
101.11

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA5200846

Name:
5-isopropyl-3-methyl-1-oxa-5-azaspiro[5.5]undeca-7,10-diene-4,9-dione

Mol. Formula:
C13H17NO3

M.W.:
235.28

2 activity values

1 unique targets

Type:
---

AlogP:
1.28

Polar Surface Area:
46.61

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.69

DETAILS

ALA5200671

Name:
3-(2-((3-benzylphenyl)amino)ethyl)-5-methyl-1-oxa-5-azaspiro[5.5]undeca-7,1Show More⌵

Mol. Formula:
C25H26N2O3

M.W.:
402.49

2 activity values

1 unique targets

Type:
---

AlogP:
3.58

Polar Surface Area:
58.64

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA5199015

Name:
3-(2-((5-methoxy-2-(piperidin-1-yl)phenyl)amino)ethyl)-5-methyl-1-oxa-5-azaShow More⌵

Mol. Formula:
C24H31N3O4

M.W.:
425.53

2 activity values

1 unique targets

Type:
---

AlogP:
2.98

Polar Surface Area:
71.11

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA5198917

Name:
3-(2-((3,4-dichlorophenyl)amino)ethyl)-5-methyl-1-oxa-5-azaspiro[5.5]undecaShow More⌵

Mol. Formula:
C18H18Cl2N2O3

M.W.:
381.26

2 activity values

1 unique targets

Type:
---

AlogP:
3.29

Polar Surface Area:
58.64

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA5197760

Name:
N-(1-((1-benzyl-1H-pyrazol-4-yl)methyl)azetidin-3-yl)-1-cyclopropyl-1H-1,2,Show More⌵

Mol. Formula:
C20H23N7O

M.W.:
377.45

3 activity values

2 unique targets

Type:
---

AlogP:
1.47

Polar Surface Area:
80.87

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA5196609

Name:
3-(2-((tert-butyldimethylsilyl)oxy)ethyl)-5-methyl-1-oxa-5-azaspiro[5.5]undShow More⌵

Mol. Formula:
C18H29NO4Si

M.W.:
351.52

1 activity values

1 unique targets

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5194340

Name:
5-isopropyl-3-(2-((phenylsulfonyl)methyl)benzyl)-1-oxa-5-azaspiro[5.5]undecShow More⌵

Mol. Formula:
C26H27NO5S

M.W.:
465.57

2 activity values

1 unique targets

Type:
---

AlogP:
3.48

Polar Surface Area:
80.75

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA5194131

Name:
3-allyl-5-isopropyl-1-oxa-5-azaspiro[5.5]undeca-7,10-diene-4,9-dione

Mol. Formula:
C15H19NO3

M.W.:
261.32

2 activity values

1 unique targets

Type:
---

AlogP:
1.84

Polar Surface Area:
46.61

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
Y

QED Weighted:
0.73

DETAILS

ALA5193070

Name:
5-methyl-3-(2-(pyridin-3-ylamino)ethyl)-1-oxa-5-azaspiro[5.5]undeca-7,10-diShow More⌵

Mol. Formula:
C17H19N3O3

M.W.:
313.36

2 activity values

1 unique targets

Type:
---

AlogP:
1.38

Polar Surface Area:
71.53

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.91

DETAILS

ALA5191667

Name:
3-(3-bromobenzyl)-5-isopropyl-1-oxa-5-azaspiro[5.5]undeca-7,10-diene-4,9-diShow More⌵

Mol. Formula:
C19H20BrNO3

M.W.:
390.28

2 activity values

1 unique targets

Type:
---

AlogP:
3.27

Polar Surface Area:
46.61

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA5191647

Name:
3-(2-((9H-carbazol-9-yl)imino)ethyl)-5-methyl-1-oxa-5-azaspiro[5.5]undeca-7Show More⌵

Mol. Formula:
C24H21N3O3

M.W.:
399.45

4 activity values

3 unique targets

Type:
---

AlogP:
3.51

Polar Surface Area:
63.90

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA5190577

Name:
3-(2-((4-benzoylphenyl)amino)ethyl)-5-methyl-1-oxa-5-azaspiro[5.5]undeca-7,Show More⌵

Mol. Formula:
C25H24N2O4

M.W.:
416.48

2 activity values

1 unique targets

Type:
---

AlogP:
3.22

Polar Surface Area:
75.71

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA5190397

Name:
3-(3,5-bis(trifluoromethyl)benzyl)-5-isopropyl-1-oxa-5-azaspiro[5.5]undeca-Show More⌵

Mol. Formula:
C21H19F6NO3

M.W.:
447.38

5 activity values

4 unique targets

Type:
---

AlogP:
4.54

Polar Surface Area:
46.61

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.64

DETAILS