Compounds

ALA2269305

Name:
(6aS,7S,8R,10'S)-7-(2-(furan-3-yl)ethyl)-7,8-dimethyl-6,6a,7,8,9,10-hexahydShow More⌵

Mol. Formula:
C20H26O3

M.W.:
314.43

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.53

Polar Surface Area:
39.44

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA2269304

Name:
(6S,6aS,7S,8S,9R,10'S)-7-(2-(furan-3-yl)ethyl)-6,9-dihydroxy-7,8-dimethyl-6Show More⌵

Mol. Formula:
C20H26O5

M.W.:
346.42

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.47

Polar Surface Area:
79.90

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA2269303

Name:
(6aS,7S,8R,10'S)-7,8-dimethyl-7-(2-(5-oxotetrahydrofuran-3-yl)ethyl)-6,6a,7Show More⌵

Mol. Formula:
C20H28O4

M.W.:
332.44

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.65

Polar Surface Area:
52.60

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA2269302

Name:
(3aS,6S,6aS,7S,8S,9R,10'S)-6,9-dihydroxy-7,8-dimethyl-7-(2-(tetrahydrofuranShow More⌵

Mol. Formula:
C20H32O5

M.W.:
352.47

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.14

Polar Surface Area:
75.99

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA2269301

Name:
(1R,4aS,5S,6R,8S,8aR)-5-((S)-2-acetoxy-2-(furan-3-yl)ethyl)-8a-(acetoxymethShow More⌵

Mol. Formula:
C26H36O8

M.W.:
476.57

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.37

Polar Surface Area:
104.57

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA2269300

Name:
((1R,4aS,5S,6R,8S,8aR)-8-acetoxy-5-(2-(furan-3-yl)-2-oxoethyl)-5,6-dimethylShow More⌵

Mol. Formula:
C24H32O7

M.W.:
432.51

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.95

Polar Surface Area:
95.34

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA2269299

Name:
((4aS,5S,6R,8aS)-5-(2-(furan-3-yl)ethyl)-5,6-dimethyl-3,4,4a,5,6,7,8,8a-octShow More⌵

Mol. Formula:
C20H30O3

M.W.:
318.46

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.96

Polar Surface Area:
53.60

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA2269298

Name:
(3R,4aR,4bS,10'S,12aR)-3-(furan-3-yl)-4a-methyl-4,4a,5,6,10,11,12,12a-octahShow More⌵

Mol. Formula:
C20H22O5

M.W.:
342.39

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.56

Polar Surface Area:
65.74

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA2269297

Name:
(3R,4aR,4bS,10'S,12R,12aS)-3-(furan-3-yl)-12-hydroxy-4a-methyl-4,4a,5,6,10,Show More⌵

Mol. Formula:
C20H22O6

M.W.:
358.39

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.53

Polar Surface Area:
85.97

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA2269296

Name:
(3R,4aR,4bS,7aS,10'S,12aR)-3-(furan-3-yl)-4a-methyldodecahydroisobenzofuro[Show More⌵

Mol. Formula:
C20H26O4

M.W.:
330.42

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.12

Polar Surface Area:
48.67

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA2269295

Name:
(3R,4aR,4bS,7aS,10'S,12aR)-4a-methyl-3-((S)-tetrahydrofuran-3-yl)decahydroiShow More⌵

Mol. Formula:
C20H28O5

M.W.:
348.44

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.71

Polar Surface Area:
61.83

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA2269294

Name:
(3R,4aR,4bS,7aS,10'S,12aS)-3-(furan-3-yl)-4a-methyl-4,4a,4b,5,10,11,12,12a-Show More⌵

Mol. Formula:
C20H22O5

M.W.:
342.39

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.42

Polar Surface Area:
65.74

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA2269293

Name:
(1'R,3S,4'S,5S,6'S,9'R,11'S)-5-(furan-3-yl)-4',11'-dimethyl-10',13'-dioxaspShow More⌵

Mol. Formula:
C20H22O6

M.W.:
358.39

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.77

Polar Surface Area:
78.27

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA2269292

Name:
(1'R,3S,4'S,5S,6'S)-5-(furan-3-yl)-4',11'-dimethyl-9'-oxaspiro[oxolane-3,5'Show More⌵

Mol. Formula:
C20H22O5

M.W.:
342.39

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.56

Polar Surface Area:
65.74

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA2269291

Name:
(2R,2'S,4'aS,5'R,5'R,6'R,8'S,8'aR)-2',8'-bis(acetyloxy)-5'-(furan-3-yl)-6'-Show More⌵

Mol. Formula:
C26H32O10

M.W.:
504.53

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.89

Polar Surface Area:
130.87

HBA:
10

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA2269290

Name:
(2R,4'aS,5'R,5'R,6'R,8'S,8'aR)-8'-(acetyloxy)-5'-(2,5-dimethoxy-2,5-dihydroShow More⌵

Mol. Formula:
C26H36O10

M.W.:
508.56

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.28

Polar Surface Area:
119.12

HBA:
10

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA2269289

Name:
((1'R,2'R,4'S,4a'R,5R,5'S,8a'S)-4'-acetoxy-5'-formyl-5-(furan-3-yl)-2'-methShow More⌵

Mol. Formula:
C24H30O8

M.W.:
446.50

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.39

Polar Surface Area:
109.11

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA2269288

Name:
((1'R,2'R,4'S,4a'R,5R,8a'S)-4'-acetoxy-5-(furan-3-yl)-5',5'-dihydroxy-2'-meShow More⌵

Mol. Formula:
C23H30O9

M.W.:
450.48

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.26

Polar Surface Area:
132.50

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA2269287

Name:
2-(2-((1S,2R,4aR,8aS)-1,2,4a-trimethyl-5-methylenedecahydronaphthalen-1-yl)Show More⌵

Mol. Formula:
C20H34O2

M.W.:
306.49

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.48

Polar Surface Area:
40.46

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA2269286

Name:
(R,E)-5-hydroxy-3-(hydroxymethyl)-1-((1S,4aS,5S,6R,8aR)-5,6,8a-trimethyloctShow More⌵

Mol. Formula:
C22H36O5

M.W.:
380.53

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.23

Polar Surface Area:
79.29

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.42

DETAILS