Compounds

ALA1290219

Name:
8-Acetyl-7-(2-adamantan-1-yl-ethoxy)-chromen-2-one

Mol. Formula:
C23H26O4

M.W.:
366.46

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
4.98

Polar Surface Area:
56.51

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA1290111

Name:
8-acetyl-7-(benzyloxy)-2H-chromen-2-one

Mol. Formula:
C18H14O4

M.W.:
294.31

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
3.57

Polar Surface Area:
56.51

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA1290110

Name:
6-Acetyl-7-(2-adamantan-1-yl-ethoxy)-chromen-2-one

Mol. Formula:
C23H26O4

M.W.:
366.46

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
4.98

Polar Surface Area:
56.51

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA1288623

Name:
8-Propionyl-7-propoxy-2H-chromen-2-one

Mol. Formula:
C15H16O4

M.W.:
260.29

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
3.17

Polar Surface Area:
56.51

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA1288622

Name:
7-ethoxy-8-propionyl-2H-chromen-2-one

Mol. Formula:
C14H14O4

M.W.:
246.26

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
2.78

Polar Surface Area:
56.51

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA1288621

Name:
7-methoxy-8-propionyl-2H-chromen-2-one

Mol. Formula:
C13H12O4

M.W.:
232.24

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
2.39

Polar Surface Area:
56.51

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA1288620

Name:
8-acetyl-7-butoxy-2H-chromen-2-one

Mol. Formula:
C15H16O4

M.W.:
260.29

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
3.17

Polar Surface Area:
56.51

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA1288596

Name:
8-acetyl-7-propoxy-2H-chromen-2-one

Mol. Formula:
C14H14O4

M.W.:
246.26

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
2.78

Polar Surface Area:
56.51

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA1288595

Name:
8-acetyl-7-ethoxy-2H-chromen-2-one

Mol. Formula:
C13H12O4

M.W.:
232.24

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
2.39

Polar Surface Area:
56.51

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

8-Acetyl-7-methoxycoumarin

Name:
8-acetyl-7-methoxy-2H-chromen-2-one

Mol. Formula:
C12H10O4

M.W.:
218.21

7 activity values

6 unique targets

Type:
Small molecule

AlogP:
2.00

Polar Surface Area:
56.51

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA1288558

Name:
6-acetyl-7-methoxy-2H-chromen-2-one

Mol. Formula:
C12H10O4

M.W.:
218.21

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
2.00

Polar Surface Area:
56.51

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.57

DETAILS