Compounds

ALA443236

Name:
[(6',7'-dichloro-1'-oxo-1',3'-dihydrospiro[cyclopentane-1,2'-inden]-5'-yl)oShow More⌵

Mol. Formula:
C15H14Cl2O4

M.W.:
329.18

14 activity values

4 unique targets

Type:
Small molecule

AlogP:
3.76

Polar Surface Area:
63.60

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.92

DETAILS

ALA440745

Name:
(2,2-Diethyl-6,7-dimethyl-1,3-dioxo-indan-5-yloxy)-acetic acid

Mol. Formula:
C17H20O5

M.W.:
304.34

14 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.95

Polar Surface Area:
80.67

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA353982

Name:
(2-Ethyl-6,7-dimethyl-1,3-dioxo-indan-5-yloxy)-acetic acid

Mol. Formula:
C15H16O5

M.W.:
276.29

18 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.17

Polar Surface Area:
80.67

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA353410

Name:
(6,7-Dichloro-2-ethyl-2-methyl-1,3-dioxo-indan-5-yloxy)-acetic acid

Mol. Formula:
C14H12Cl2O5

M.W.:
331.15

30 activity values

4 unique targets

Type:
Small molecule

AlogP:
3.25

Polar Surface Area:
80.67

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA167192

Name:
4,5-Dichloro-2-ethyl-6-methoxy-indan-1,3-dione

Mol. Formula:
C12H10Cl2O3

M.W.:
273.11

10 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.41

Polar Surface Area:
43.37

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA354175

Name:
7'-chloro-6'-methyl-5'-(2H-1,2,3,4-tetrazol-5-ylmethoxy)-1',3'-dihydrospiroShow More⌵

Mol. Formula:
C16H15ClN4O3

M.W.:
346.77

14 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.68

Polar Surface Area:
97.83

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA352571

Name:
(6,7-Dichloro-2-methyl-1,3-dioxo-2-phenyl-indan-5-yloxy)-acetic acid

Mol. Formula:
C18H12Cl2O5

M.W.:
379.20

10 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.79

Polar Surface Area:
80.67

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA169061

Name:
(7-Chloro-2,2-diethyl-6-methyl-1,3-dioxo-indan-5-yloxy)-acetic acid

Mol. Formula:
C16H17ClO5

M.W.:
324.76

34 activity values

4 unique targets

Type:
Small molecule

AlogP:
3.30

Polar Surface Area:
80.67

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA169093

Name:
(7-Chloro-2-cyclopentyl-2,6-dimethyl-1,3-dioxo-indan-5-yloxy)-acetic acid

Mol. Formula:
C18H19ClO5

M.W.:
350.80

30 activity values

4 unique targets

Type:
Small molecule

AlogP:
3.69

Polar Surface Area:
80.67

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA166896

Name:
(Acylaryloxy)acetic Acid

Mol. Formula:
C16H15ClO5

M.W.:
322.74

34 activity values

4 unique targets

Type:
Small molecule

AlogP:
3.05

Polar Surface Area:
80.67

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

Probenecid

Name:
4-Dipropylsulfamoyl-benzoic acid

Mol. Formula:
C13H19NO4S

M.W.:
285.37

971 activity values

207 unique targets

Type:
Small molecule

AlogP:
2.20

Polar Surface Area:
74.68

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.83

DETAILS