Compounds

Type:
Small molecule

AlogP:
4.56

Polar Surface Area:
58.64

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA2229388

Name:
N'-tert-butyl-N'-(2-chlorobenzoyl)-2,4-dimethyl-2,3-dihydrobenzofuran-5-carShow More⌵

Mol. Formula:
C22H25ClN2O3

M.W.:
400.91

8 activity values

Type:
Small molecule

AlogP:
4.56

Polar Surface Area:
58.64

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA2229387

Name:
N'-tert-butyl-2,4-dimethyl-N'-(4-nitrobenzoyl)-2,3-dihydrobenzofuran-5-carbShow More⌵

Mol. Formula:
C22H25N3O5

M.W.:
411.46

4 activity values

Type:
Small molecule

AlogP:
3.81

Polar Surface Area:
101.78

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA2229386

Name:
N'-tert-butyl-2,4-dimethyl-N'-(3-nitrobenzoyl)-2,3-dihydrobenzofuran-5-carbShow More⌵

Mol. Formula:
C22H25N3O5

M.W.:
411.46

Type:
Small molecule

AlogP:
3.81

Polar Surface Area:
101.78

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA2229385

Name:
N'-tert-butyl-2,4-dimethyl-N'-(2-nitrobenzoyl)-2,3-dihydrobenzofuran-5-carbShow More⌵

Mol. Formula:
C22H25N3O5

M.W.:
411.46

8 activity values

Type:
Small molecule

AlogP:
3.81

Polar Surface Area:
101.78

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA2229384

Name:
N'-benzoyl-N'-tert-butyl-2,4-dimethyl-2,3-dihydrobenzofuran-5-carbohydrazidShow More⌵

Mol. Formula:
C22H26N2O3

M.W.:
366.46

Type:
Small molecule

AlogP:
3.90

Polar Surface Area:
58.64

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA2229383

Name:
N'-tert-butyl-N'-(2,4-dichlorobenzoyl)-2,2,4-trimethyl-2,3-dihydrobenzofuraShow More⌵

Mol. Formula:
C23H26Cl2N2O3

M.W.:
449.38

Type:
Small molecule

AlogP:
5.60

Polar Surface Area:
58.64

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA2229382

Name:
N'-tert-butyl-N'-(3,5-dichlorobenzoyl)-2,2,4-trimethyl-2,3-dihydrobenzofuraShow More⌵

Mol. Formula:
C23H26Cl2N2O3

M.W.:
449.38

Type:
Small molecule

AlogP:
5.60

Polar Surface Area:
58.64

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA2229381

Name:
N'-tert-butyl-N'-(3,5-dinitrobenzoyl)-2,2,4-trimethyl-2,3-dihydrobenzofuranShow More⌵

Mol. Formula:
C23H26N4O7

M.W.:
470.48

Type:
Small molecule

AlogP:
4.11

Polar Surface Area:
144.92

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA2229380

Name:
N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-2,2,4-trimethyl-2,3-dihydrobenzofuraShow More⌵

Mol. Formula:
C25H32N2O3

M.W.:
408.54

Type:
Small molecule

AlogP:
4.91

Polar Surface Area:
58.64

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA2229379

Name:
N'-tert-butyl-2,2,4-trimethyl-N'-(3-methylbenzoyl)-2,3-dihydrobenzofuran-5-Show More⌵

Mol. Formula:
C24H30N2O3

M.W.:
394.52

Type:
Small molecule

AlogP:
4.60

Polar Surface Area:
58.64

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA2229378

Name:
N'-tert-butyl-N'-(4-methoxybenzoyl)-2,2,4-trimethyl-2,3-dihydrobenzofuran-5Show More⌵

Mol. Formula:
C24H30N2O4

M.W.:
410.51

4 activity values

Type:
Small molecule

AlogP:
4.30

Polar Surface Area:
67.87

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA2229377

Name:
N'-tert-butyl-N'-(3-methoxybenzoyl)-2,2,4-trimethyl-2,3-dihydrobenzofuran-5Show More⌵

Mol. Formula:
C24H30N2O4

M.W.:
410.51

Type:
Small molecule

AlogP:
4.30

Polar Surface Area:
67.87

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA2229376

Name:
N'-tert-butyl-N'-(2-methoxybenzoyl)-2,2,4-trimethyl-2,3-dihydrobenzofuran-5Show More⌵

Mol. Formula:
C24H30N2O4

M.W.:
410.51

Type:
Small molecule

AlogP:
4.30

Polar Surface Area:
67.87

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA2229375

Name:
N'-tert-butyl-N'-(4-chlorobenzoyl)-2,2,4-trimethyl-2,3-dihydrobenzofuran-5-Show More⌵

Mol. Formula:
C23H27ClN2O3

M.W.:
414.93

6 activity values

Type:
Small molecule

AlogP:
4.95

Polar Surface Area:
58.64

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA2229374

Name:
N'-tert-butyl-N'-(3-chlorobenzoyl)-2,2,4-trimethyl-2,3-dihydrobenzofuran-5-Show More⌵

Mol. Formula:
C23H27ClN2O3

M.W.:
414.93

Type:
Small molecule

AlogP:
4.95

Polar Surface Area:
58.64

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA2229373

Name:
N'-tert-butyl-N'-(2-chlorobenzoyl)-2,2,4-trimethyl-2,3-dihydrobenzofuran-5-Show More⌵

Mol. Formula:
C23H27ClN2O3

M.W.:
414.93

Type:
Small molecule

AlogP:
4.95

Polar Surface Area:
58.64

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA2229372

Name:
N'-tert-butyl-2,2,4-trimethyl-N'-(4-nitrobenzoyl)-2,3-dihydrobenzofuran-5-cShow More⌵

Mol. Formula:
C23H27N3O5

M.W.:
425.49

4 activity values

Type:
Small molecule

AlogP:
4.20

Polar Surface Area:
101.78

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA2229371

Name:
N'-tert-butyl-2,2,4-trimethyl-N'-(3-nitrobenzoyl)-2,3-dihydrobenzofuran-5-cShow More⌵

Mol. Formula:
C23H27N3O5

M.W.:
425.49

Type:
Small molecule

AlogP:
4.20

Polar Surface Area:
101.78

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA2229247

Name:
N'-tert-butyl-2,2,4-trimethyl-N'-(2-nitrobenzoyl)-2,3-dihydrobenzofuran-5-cShow More⌵

Mol. Formula:
C23H27N3O5

M.W.:
425.49