Compounds

ALA147572

Name:
[5-Methyl-6-(3-methyl-but-2-enyloxy)-9-oxo-9H-xanthen-4-yl]-acetic acid metShow More⌵

Mol. Formula:
C22H22O5

M.W.:
366.41

6 activity values

4 unique targets

Type:
Small molecule

AlogP:
4.32

Polar Surface Area:
65.74

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA343631

Name:
(2,2-Dimethyl-6-oxo-1,2-dihydro-6H-3,11-dioxa-cyclopenta[a]anthracen-10-yl)Show More⌵

Mol. Formula:
C20H18O5

M.W.:
338.36

6 activity values

4 unique targets

Type:
Small molecule

AlogP:
3.38

Polar Surface Area:
65.74

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA342569

Name:
(2-Methyl-6-oxo-1,2-dihydro-6H-3,11-dioxa-cyclopenta[a]anthracen-10-yl)-aceShow More⌵

Mol. Formula:
C18H14O5

M.W.:
310.31

6 activity values

4 unique targets

Type:
Small molecule

AlogP:
2.90

Polar Surface Area:
76.74

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA359026

Name:
(3,3-Dimethyl-7-oxo-3H,7H-4,12-dioxa-benzo[a]anthracen-11-yl)-acetic acid

Mol. Formula:
C20H16O5

M.W.:
336.34

6 activity values

4 unique targets

Type:
Small molecule

AlogP:
3.76

Polar Surface Area:
76.74

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA147547

Name:
[5-Methyl-6-(3-methyl-but-2-enyloxy)-9-oxo-9H-xanthen-4-yl]-acetic acid

Mol. Formula:
C21H20O5

M.W.:
352.39

6 activity values

4 unique targets

Type:
Small molecule

AlogP:
4.23

Polar Surface Area:
76.74

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA148123

Name:
(5-Methyl-9-oxo-6-prop-2-ynyloxy-9H-xanthen-4-yl)-acetic acid methyl ester

Mol. Formula:
C20H16O5

M.W.:
336.34

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.98

Polar Surface Area:
65.74

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA148004

Name:
[5-Methyl-6-(2-methyl-allyloxy)-9-oxo-9H-xanthen-4-yl]-acetic acid

Mol. Formula:
C20H18O5

M.W.:
338.36

6 activity values

4 unique targets

Type:
Small molecule

AlogP:
3.84

Polar Surface Area:
76.74

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA146193

Name:
(6-Allyloxy-5-methyl-9-oxo-9H-xanthen-4-yl)-acetic acid methyl ester

Mol. Formula:
C20H18O5

M.W.:
338.36

6 activity values

4 unique targets

Type:
Small molecule

AlogP:
3.53

Polar Surface Area:
65.74

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA341629

Name:
(6-Allyloxy-5-methyl-9-oxo-9H-xanthen-4-yl)-acetic acid

Mol. Formula:
C19H16O5

M.W.:
324.33

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.45

Polar Surface Area:
76.74

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA146290

Name:
(2,2-Dimethyl-6-oxo-1,2-dihydro-6H-3,11-dioxa-cyclopenta[a]anthracen-10-yl)Show More⌵

Mol. Formula:
C19H16O5

M.W.:
324.33

6 activity values

4 unique targets

Type:
Small molecule

AlogP:
3.29

Polar Surface Area:
76.74

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA147376

Name:
x[5-Methyl-6-(2-methyl-allyloxy)-9-oxo-9H-xanthen-4-yl]-acetic acid methyl Show More⌵

Mol. Formula:
C21H20O5

M.W.:
352.39

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.93

Polar Surface Area:
65.74

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.40

DETAILS