Compounds

ALA122563

Name:
(1R,5S,6R)-5-Hydroxy-4-hydroxymethyl-3-((E)-1-methyl-propenyl)-7-oxa-bicyclShow More⌵

Mol. Formula:
C11H14O4

M.W.:
210.23

6 activity values

2 unique targets

Type:
Small molecule

AlogP:
-0.05

Polar Surface Area:
70.06

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA121734

Name:
(1R,5S,6R)-5-Hydroxy-4-hydroxymethyl-7-oxa-bicyclo[4.1.0]hept-3-en-2-one

Mol. Formula:
C7H8O4

M.W.:
156.14

6 activity values

2 unique targets

Type:
Small molecule

AlogP:
-1.38

Polar Surface Area:
70.06

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA421619

Name:
(1R,5S,6R)-4-Hydroxymethyl-5-methoxy-3-((E)-propenyl)-7-oxa-bicyclo[4.1.0]hShow More⌵

Mol. Formula:
C11H14O4

M.W.:
210.23

6 activity values

2 unique targets

Type:
Small molecule

AlogP:
0.22

Polar Surface Area:
59.06

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA125998

Name:
(1S,5R,6S)-5-Hydroxy-4-hydroxymethyl-3-((E)-propenyl)-7-oxa-bicyclo[4.1.0]hShow More⌵

Mol. Formula:
C10H12O4

M.W.:
196.20

6 activity values

2 unique targets

Type:
Small molecule

AlogP:
-0.44

Polar Surface Area:
70.06

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA125886

Name:
(1R,5S,6R)-5-Hydroxy-4-hydroxymethyl-3-((E)-styryl)-7-oxa-bicyclo[4.1.0]hepShow More⌵

Mol. Formula:
C15H14O4

M.W.:
258.27

6 activity values

2 unique targets

Type:
Small molecule

AlogP:
0.70

Polar Surface Area:
70.06

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA126036

Name:
(1R,5S,6R)-3-((E)-Hex-1-enyl)-5-hydroxy-4-hydroxymethyl-7-oxa-bicyclo[4.1.0Show More⌵

Mol. Formula:
C13H18O4

M.W.:
238.28

6 activity values

2 unique targets

Type:
Small molecule

AlogP:
0.73

Polar Surface Area:
70.06

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA122492

Name:
(1R,5S,6R)-5-Hydroxy-4-hydroxymethyl-3-((E)-propenyl)-7-oxa-bicyclo[4.1.0]hShow More⌵

Mol. Formula:
C10H12O4

M.W.:
196.20

6 activity values

2 unique targets

Type:
Small molecule

AlogP:
-0.44

Polar Surface Area:
70.06

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA123021

Name:
(1S,6R)-3-Hydroxymethyl-4-((E)-propenyl)-7-oxa-bicyclo[4.1.0]hept-3-ene-2,5Show More⌵

Mol. Formula:
C10H10O4

M.W.:
194.19

6 activity values

2 unique targets

Type:
Small molecule

AlogP:
-0.23

Polar Surface Area:
66.90

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA123059

Name:
(1R,6S)-3-((E)-Hex-1-enyl)-4-hydroxymethyl-7-oxa-bicyclo[4.1.0]hept-3-ene-2Show More⌵

Mol. Formula:
C13H16O4

M.W.:
236.27

6 activity values

2 unique targets

Type:
Small molecule

AlogP:
0.94

Polar Surface Area:
66.90

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA122483

Name:
(1R,5S,6R)-5-Hydroxy-4-hydroxymethyl-3-vinyl-7-oxa-bicyclo[4.1.0]hept-3-en-Show More⌵

Mol. Formula:
C9H10O4

M.W.:
182.17

6 activity values

2 unique targets

Type:
Small molecule

AlogP:
-0.83

Polar Surface Area:
70.06

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.55

DETAILS