Compounds

ALA124812

Name:
(3S,4R)-Ethanesulfonic acid (6-fluoro-3-hydroxy-2,2-dimethyl-chroman-4-yl)-Show More⌵

Mol. Formula:
C14H20FNO4S

M.W.:
317.38

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.68

Polar Surface Area:
66.84

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.92

DETAILS

ALA338171

Name:
N-(6-Chloro-3-hydroxy-2,2-dimethyl-chroman-4-yl)-N-methyl-methanesulfonamidShow More⌵

Mol. Formula:
C13H18ClNO4S

M.W.:
319.81

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.80

Polar Surface Area:
66.84

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.90

DETAILS

ALA124810

Name:
N-(3-Hydroxy-2,2-dimethyl-6-propoxy-chroman-4-yl)-N-methyl-methanesulfonamiShow More⌵

Mol. Formula:
C16H25NO5S

M.W.:
343.45

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.94

Polar Surface Area:
76.07

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA124308

Name:
N-(6-Benzyloxy-3-hydroxy-2,2-dimethyl-chroman-4-yl)-N-methyl-methanesulfonaShow More⌵

Mol. Formula:
C20H25NO5S

M.W.:
391.49

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.73

Polar Surface Area:
76.07

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA124454

Name:
(3R,4S)-Ethanesulfonic acid (6-benzyloxy-3-hydroxy-2,2-dimethyl-chroman-4-yShow More⌵

Mol. Formula:
C21H27NO5S

M.W.:
405.52

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.12

Polar Surface Area:
76.07

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA127885

Name:
(3S,4R)-Ethanesulfonic acid (6-benzyloxy-3-hydroxy-2,2-dimethyl-chroman-4-yShow More⌵

Mol. Formula:
C21H27NO5S

M.W.:
405.52

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.12

Polar Surface Area:
76.07

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA340025

Name:
(3R,4S)-Ethanesulfonic acid (6-fluoro-3-hydroxy-2,2-dimethyl-chroman-4-yl)-Show More⌵

Mol. Formula:
C14H20FNO4S

M.W.:
317.38

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.68

Polar Surface Area:
66.84

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.92

DETAILS

ALA125259

Name:
Ethanesulfonic acid (3-hydroxy-2,2-dimethyl-chroman-4-yl)-methyl-amide

Mol. Formula:
C14H21NO4S

M.W.:
299.39

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.54

Polar Surface Area:
66.84

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.92

DETAILS

ALA125307

Name:
N-(6-Butoxy-3-hydroxy-2,2-dimethyl-chroman-4-yl)-N-methyl-methanesulfonamidShow More⌵

Mol. Formula:
C17H27NO5S

M.W.:
357.47

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.33

Polar Surface Area:
76.07

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA340910

Name:
N-[3-Hydroxy-2,2-dimethyl-6-(4,4,4-trifluoro-butoxy)-chroman-4-yl]-N-methylShow More⌵

Mol. Formula:
C17H24F3NO5S

M.W.:
411.44

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.87

Polar Surface Area:
76.07

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA330993

Name:
Butane-1-sulfonic acid (6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)-methylShow More⌵

Mol. Formula:
C17H24N2O4S

M.W.:
352.46

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.19

Polar Surface Area:
90.63

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA338273

Name:
Ethanesulfonic acid (6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)-methyl-amShow More⌵

Mol. Formula:
C15H20N2O4S

M.W.:
324.40

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.41

Polar Surface Area:
90.63

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.91

DETAILS

ALA127435

Name:
Ethanesulfonic acid (6-fluoro-3-hydroxy-2,2-dimethyl-chroman-4-yl)-methyl-aShow More⌵

Mol. Formula:
C14H20FNO4S

M.W.:
317.38

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.68

Polar Surface Area:
66.84

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.92

DETAILS

ALA340236

Name:
(3S,4R)-(+)-N-[3-Hydroxy-2,2-dimethyl-6-(4,4,4-trifluoro-butoxy)-chroman-4-Show More⌵

Mol. Formula:
C17H24F3NO5S

M.W.:
411.44

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.87

Polar Surface Area:
76.07

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA42205

Name:
2-(4-Fluoro-phenyl)-2-(2-fluoro-phenyl)-2-phenyl-acetamide

Mol. Formula:
C20H15F2NO

M.W.:
323.34

16 activity values

7 unique targets

Type:
Small molecule

AlogP:
3.78

Polar Surface Area:
43.09

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

HMR 1556

Name:
N-[3-Hydroxy-2,2-dimethyl-6-(4,4,4-trifluoro-butoxy)-chroman-4-yl]-N-methylShow More⌵

Mol. Formula:
C17H24F3NO5S

M.W.:
411.44

5 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.87

Polar Surface Area:
76.07

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.73

DETAILS