Compounds

Type:
Small molecule

AlogP:
3.98

Polar Surface Area:
91.81

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4168631

Name:
2-Methoxy-2-methyl-(4-(4-methoxyphenyl))-3,4-dihydropyrano[3,2-c]chromen-5(Show More⌵

Mol. Formula:
C21H20O5

M.W.:
352.39

9 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.08

Polar Surface Area:
57.90

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4163231

Name:
2-Methoxy-2-methyl-(4-(p-tolyl))-3,4-dihydropyrano[3,2-c]chromen-5(2H)-one

Mol. Formula:
C21H20O4

M.W.:
336.39

Type:
Small molecule

AlogP:
4.38

Polar Surface Area:
48.67

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4162161

Name:
2-Methoxy-2-methyl-(4-(4-fluorophenyl))-3,4-dihydropyrano[3,2-c]chromen-5(2Show More⌵

Mol. Formula:
C20H17FO4

M.W.:
340.35

Type:
Small molecule

AlogP:
4.21

Polar Surface Area:
48.67

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4160276

Name:
2-Methoxy-2-methyl-(4-(4-tert-butylphenyl)-3,4-dihydropyrano[3,2-c]chromen-Show More⌵

Mol. Formula:
C24H26O4

M.W.:
378.47

Type:
Small molecule

AlogP:
5.37

Polar Surface Area:
48.67

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4159847

Name:
2-Methoxy-2-methyl-(4-(4-trifluoromethyl)phenyl))-3,4-dihydropyrano[3,2-c]cShow More⌵

Mol. Formula:
C21H17F3O4

M.W.:
390.36

Type:
Small molecule

AlogP:
5.09

Polar Surface Area:
48.67

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA3986333

Name:
3-(3,5-difluorophenyl)-2-(4-(methylsulfonyl)phenyl)-1-oxaspiro[4.4]non-2-enShow More⌵

Mol. Formula:
C21H18F2O4S

M.W.:
404.43

Type:
Small molecule

AlogP:
4.15

Polar Surface Area:
60.44

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA3985744

Name:
4-(3-(3-chlorophenyl)-5,5-dimethyl-4-oxo-4,5-dihydrofuran-2-yl)-2-fluorobenShow More⌵

Mol. Formula:
C18H15ClFNO4S

M.W.:
395.84

Type:
Small molecule

AlogP:
3.37

Polar Surface Area:
86.46

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA3984726

Name:
4-(3-(3,4-dichlorophenyl)-5,5-dimethyl-4-oxo-4,5-dihydrofuran-2-yl)benzenesShow More⌵

Mol. Formula:
C18H15Cl2NO4S

M.W.:
412.29

Type:
Small molecule

AlogP:
3.89

Polar Surface Area:
86.46

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA3981573

Name:
4-(2,6-difluorophenyl)-5-(3-fluoro-4-(methylsulfonyl)phenyl)-2,2-dimethylfuShow More⌵

Mol. Formula:
C19H15F3O4S

M.W.:
396.39

Type:
Small molecule

AlogP:
3.75

Polar Surface Area:
60.44

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA3980214

Name:
4-(5-fluoro-2-methylphenyl)-2,2-dimethyl-5-(4-(methylsulfonyl)phenyl)furan-Show More⌵

Mol. Formula:
C20H19FO4S

M.W.:
374.43

Type:
Small molecule

AlogP:
3.78

Polar Surface Area:
60.44

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA3979155

Name:
4-(2,5-difluorophenyl)-5-(3-fluoro-4-(methylsulfonyl)phenyl)-2,2-dimethylfuShow More⌵

Mol. Formula:
C19H15F3O4S

M.W.:
396.39

Type:
Small molecule

AlogP:
3.75

Polar Surface Area:
60.44

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA3978385

Name:
4-(2-fluorophenyl)-2,2-dimethyl-5-(4-(methylsulfonyl)phenyl)furan-3(2H)-one

Mol. Formula:
C19H17FO4S

M.W.:
360.41

Type:
Small molecule

AlogP:
3.48

Polar Surface Area:
60.44

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA3976673

Name:
4-(4-tert-butylphenyl)-2,2-dimethyl-5-(4-(methylsulfonyl)phenyl)furan-3(2H)Show More⌵

Mol. Formula:
C23H26O4S

M.W.:
398.52

Type:
Small molecule

AlogP:
4.63

Polar Surface Area:
60.44

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA3975911

Name:
2,2-dimethyl-5-(4-(methylsulfonyl)phenyl)-4-m-tolylfuran-3(2H)-one

Mol. Formula:
C20H20O4S

M.W.:
356.44

Type:
Small molecule

AlogP:
3.64

Polar Surface Area:
60.44

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA3973214

Name:
2-ethyl-2-methyl-5-(4-(methylsulfonyl)phenyl)-4-(5-methylthiophen-2-yl)furaShow More⌵

Mol. Formula:
C19H20O4S2

M.W.:
376.50

Type:
Small molecule

AlogP:
4.10

Polar Surface Area:
60.44

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA3973185

Name:
5-(3-fluoro-4-(methylsulfonyl)phenyl)-2,2-dimethyl-4-(4-(trifluoromethyl)phShow More⌵

Mol. Formula:
C20H16F4O4S

M.W.:
428.40

Type:
Small molecule

AlogP:
4.49

Polar Surface Area:
60.44

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA3972337

Name:
2-chloro-4-(3-(3,5-difluorophenyl)-5,5-dimethyl-4-oxo-4,5-dihydrofuran-2-ylShow More⌵

Mol. Formula:
C18H14ClF2NO4S

M.W.:
413.83