Compounds

Type:
Unknown

AlogP:
5.30

Polar Surface Area:
125.72

HBA:
8

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA4521128

Name:
(S)-1-((R)-2-Hydroxy-2-(4-(5-(3-phenyl-4-(trifluoromethyl)-isoxazol-5-yl)-1Show More⌵

Mol. Formula:
C26H23F3N4O5

M.W.:
528.49

Type:
Unknown

AlogP:
4.91

Polar Surface Area:
125.72

HBA:
8

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA4218826

Name:
(E)-3-(6-(2,6-dichlorostyryl)-2H-spiro[benzofuran-3,4'-piperidine]-1'-yl)prShow More⌵

Mol. Formula:
C23H24Cl3NO3

M.W.:
468.81

10 activity values

7 unique targets

Type:
Small molecule

AlogP:
5.36

Polar Surface Area:
49.77

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4218296

Name:
3-(6-(2,6-dichlorobenzyloxy)-2H-spiro[benzofuran-3,3'-piperidine]-1'-yl)proShow More⌵

Mol. Formula:
C22H24Cl3NO4

M.W.:
472.80

7 activity values

Type:
Small molecule

AlogP:
4.77

Polar Surface Area:
59.00

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4217573

Name:
3-(6-(2-chloro-6-(trifluoromethoxy)benzyloxy)-2H-spiro[benzofuran-3,4'-pipeShow More⌵

Mol. Formula:
C23H24Cl2F3NO5

M.W.:
522.35

Type:
Small molecule

AlogP:
5.02

Polar Surface Area:
68.23

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4217349

Name:
3-(6-(2,6-dichlorobenzyloxy)-2H-spiro[benzofuran-3,4'-piperidine]-1'-yl)-2-Show More⌵

Mol. Formula:
C23H26Cl3NO4

M.W.:
486.82

Type:
Small molecule

AlogP:
5.02

Polar Surface Area:
59.00

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4213894

Name:
3-(6-((2-chlorophenyl)ethynyl)-2H-spiro[benzofuran-3,4'-piperidine]-1'-yl)pShow More⌵

Mol. Formula:
C23H23Cl2NO3

M.W.:
432.35

5 activity values

Type:
Small molecule

AlogP:
3.94

Polar Surface Area:
49.77

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA4213649

Name:
3-(6-(benzyloxy)-2H-spiro[benzofuran-3,4'-piperidine]-1'-yl)propanoic acid Show More⌵

Mol. Formula:
C22H26ClNO4

M.W.:
403.91

Type:
Small molecule

AlogP:
3.47

Polar Surface Area:
59.00

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA4213167

Name:
3-(6-(2,6-dichloro-4-methylbenzyloxy)-2H-spiro[benzofuran-3,4'-piperidine]-Show More⌵

Mol. Formula:
C23H26Cl3NO4

M.W.:
486.82

Type:
Small molecule

AlogP:
5.08

Polar Surface Area:
59.00

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4210576

Name:
3-(6-(2,3-dichlorobenzyloxy)-2H-spiro[benzofuran-3,4'-piperidine]-1'-yl)proShow More⌵

Mol. Formula:
C22H24Cl3NO4

M.W.:
472.80

Type:
Small molecule

AlogP:
4.77

Polar Surface Area:
59.00

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4210234

Name:
3-(6-(2-chloro-6-ethylbenzyloxy)-2H-spiro[benzofuran-3,4'-piperidine]-1'-ylShow More⌵

Mol. Formula:
C24H29Cl2NO4

M.W.:
466.41

Type:
Small molecule

AlogP:
4.68

Polar Surface Area:
59.00

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4210080

Name:
3-(6-(3-chlorobenzyloxy)-2H-spiro[benzofuran-3,4'-piperidine]-1'-yl)propanoShow More⌵

Mol. Formula:
C22H25Cl2NO4

M.W.:
438.35

Type:
Small molecule

AlogP:
4.12

Polar Surface Area:
59.00

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA4210019

Name:
3-(6-(2-chloro-6-ethylbenzylthio)-2H-spiro[benzofuran-3,4'-piperidine]-1'-yShow More⌵

Mol. Formula:
C24H29Cl2NO3S

M.W.:
482.47

7 activity values

Type:
Small molecule

AlogP:
5.40

Polar Surface Area:
49.77

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4209494

Name:
2-(6-(2,6-dichlorobenzylsulfonyl)-2H-spiro[benzofuran-3,4'-piperidine]-1'-yShow More⌵

Mol. Formula:
C21H22Cl3NO5S

M.W.:
506.84

6 activity values

5 unique targets

Type:
Small molecule

AlogP:
3.78

Polar Surface Area:
83.91

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4209307

Name:
2-(6-(2,6-dichlorobenzyloxy)-2H-spiro[benzofuran-3,4'-piperidine]-1'-yl)aceShow More⌵

Mol. Formula:
C21H22Cl3NO4

M.W.:
458.77

Type:
Small molecule

AlogP:
4.38

Polar Surface Area:
59.00

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4208787

Name:
3-(6-(2-chloro-6-(trifluoromethyl)benzyloxy)-2H-spiro[benzofuran-3,4'-piperShow More⌵

Mol. Formula:
C23H24Cl2F3NO4

M.W.:
506.35

Type:
Small molecule

AlogP:
5.14

Polar Surface Area:
59.00

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA4208055

Name:
3-(6-(phenylethynyl)-2H-spiro[benzofuran-3,4'-piperidine]-1'-yl)propanoic aShow More⌵

Mol. Formula:
C23H24ClNO3

M.W.:
397.90

Type:
Small molecule

AlogP:
3.29

Polar Surface Area:
49.77

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA4207162

Name:
3-(6-(3-phenylpropoxy)-2H-spiro[benzofuran-3,4'-piperidine]-1'-yl)propanoicShow More⌵

Mol. Formula:
C24H30ClNO4

M.W.:
431.96

Type:
Small molecule

AlogP:
3.90

Polar Surface Area:
59.00

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4206573

Name:
3-(6-(2-chloro-6-ethylbenzyloxy)-2H-spiro[benzofuran-3,3'-piperidine]-1'-ylShow More⌵

Mol. Formula:
C24H29Cl2NO4

M.W.:
466.41