Compounds

ALA2115433

Name:
5-(2,2-Dimethyl-[1,3]dioxolan-4-yl)-3,4-dihydroxy-5H-furan-2-one

Mol. Formula:
C9H12O6

M.W.:
216.19

11 activity values

4 unique targets

Type:
Small molecule

AlogP:
0.39

Polar Surface Area:
85.22

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA442691

Name:
Propionic acid 2-(3,4-dimethoxy-5-oxo-2,5-dihydro-furan-2-yl)-2-hydroxy-ethShow More⌵

Mol. Formula:
C11H16O7

M.W.:
260.24

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
-0.27

Polar Surface Area:
91.29

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA45980

Name:
Butyric acid 2-(3,4-dimethoxy-5-oxo-2,5-dihydro-furan-2-yl)-2-hydroxy-ethylShow More⌵

Mol. Formula:
C12H18O7

M.W.:
274.27

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
0.12

Polar Surface Area:
91.29

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA46084

Name:
5-(1,2-Dihydroxy-ethyl)-3,4-dimethoxy-5H-furan-2-one

Mol. Formula:
C8H12O6

M.W.:
204.18

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
-1.23

Polar Surface Area:
85.22

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA295629

Name:
Acetic acid 2-acetoxy-1-(3,4-dimethoxy-5-oxo-2,5-dihydro-furan-2-yl)-ethyl Show More⌵

Mol. Formula:
C12H16O8

M.W.:
288.25

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
-0.09

Polar Surface Area:
97.36

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA45567

Name:
Acetic acid 2-acetoxy-1-(3,4-dihydroxy-5-oxo-2,5-dihydro-furan-2-yl)-ethyl Show More⌵

Mol. Formula:
C10H12O8

M.W.:
260.20

5 activity values

3 unique targets

Type:
Small molecule

AlogP:
-0.27

Polar Surface Area:
119.36

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA289650

Name:
Acetic acid 2-(3,4-dimethoxy-5-oxo-2,5-dihydro-furan-2-yl)-2-hydroxy-ethyl Show More⌵

Mol. Formula:
C10H14O7

M.W.:
246.21

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
-0.66

Polar Surface Area:
91.29

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA298425

Name:
5-(1,2-Dihydroxy-ethyl)-3-hydroxy-4-methoxy-5H-furan-2-one

Mol. Formula:
C7H10O6

M.W.:
190.15

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
-1.32

Polar Surface Area:
96.22

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA45237

Name:
5-(2,2-Dimethyl-[1,3]dioxolan-4-yl)-3-hydroxy-4-methoxy-5H-furan-2-one

Mol. Formula:
C10H14O6

M.W.:
230.22

5 activity values

3 unique targets

Type:
Small molecule

AlogP:
0.48

Polar Surface Area:
74.22

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA50385

Name:
5-(2,2-Dimethyl-[1,3]dioxolan-4-yl)-3,4-dimethoxy-5H-furan-2-one

Mol. Formula:
C11H16O6

M.W.:
244.24

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
0.57

Polar Surface Area:
63.22

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA50333

Name:
Acetic acid 2-(2,2-dimethyl-[1,3]dioxolan-4-yl)-4-methoxy-5-oxo-2,5-dihydroShow More⌵

Mol. Formula:
C12H16O7

M.W.:
272.25

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
0.48

Polar Surface Area:
80.29

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.69

DETAILS