Compounds

ALA5196286

Name:
(+)-Neoalbaconol

Mol. Formula:
C22H34O3

M.W.:
346.51

9 activity values

7 unique targets

Type:
---

AlogP:
4.94

Polar Surface Area:
60.69

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA5209172

Name:
(+)-dictyvaric acid

Mol. Formula:
C22H32O4

M.W.:
360.49

9 activity values

7 unique targets

Type:
---

AlogP:
4.63

Polar Surface Area:
77.76

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA5208712

Name:
[(4aS,6aR,12aR,12bS)-4,4,6a,12b-tetramethyl-1,2,3,4a,5,6,12,12a-octahydrobeShow More⌵

Mol. Formula:
C24H32O3

M.W.:
368.52

5 activity values

5 unique targets

Type:
---

AlogP:
5.71

Polar Surface Area:
35.53

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA5208112

Name:
(4aS,6aR,12aR,12bS)-10-allyloxy-4,4,6a,12b-tetramethyl-1,2,3,4a,5,6,12,12a-Show More⌵

Mol. Formula:
C24H34O2

M.W.:
354.53

5 activity values

5 unique targets

Type:
---

AlogP:
6.19

Polar Surface Area:
18.46

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA5207709

Name:
(6aR,12aR,12bS)-10-(4-fluorophenyl)-4,4,6a,12b-tetramethyl-1,2,3,4a,5,6,12,Show More⌵

Mol. Formula:
C27H33FO

M.W.:
392.56

5 activity values

5 unique targets

Type:
---

AlogP:
7.43

Polar Surface Area:
9.23

HBA:
1

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA5207547

Name:
(+)-8-epi-puupehedione

Mol. Formula:
C21H26O3

M.W.:
326.44

5 activity values

5 unique targets

Type:
---

AlogP:
4.29

Polar Surface Area:
43.37

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA5206319

Name:
(1R,2R,4aS,8aS)-1-[(2-hydroxy-5-methyl-phenyl)methyl]-2,5,5,8a-tetramethyl-Show More⌵

Mol. Formula:
C22H34O2

M.W.:
330.51

5 activity values

5 unique targets

Type:
---

AlogP:
5.24

Polar Surface Area:
40.46

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA5206289

Name:
3-[[(1R,2R,4aS,8aS)-2-hydroxy-2,5,5,8a-tetramethyl-decalin-1-yl]methyl]benzShow More⌵

Mol. Formula:
C21H32O3

M.W.:
332.48

5 activity values

5 unique targets

Type:
---

AlogP:
4.63

Polar Surface Area:
60.69

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA5205156

Name:
(4aS,6aR,12aR,12bS)-10-ethoxy-4,4,6a,12b-tetramethyl-1,2,3,4a,5,6,12,12a-ocShow More⌵

Mol. Formula:
C23H34O2

M.W.:
342.52

5 activity values

5 unique targets

Type:
---

AlogP:
6.02

Polar Surface Area:
18.46

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA5205071

Name:
(4aS,6aR,12aR,12bS)-4,4,6a,12b-tetramethyl-10-propoxy-1,2,3,4a,5,6,12,12a-oShow More⌵

Mol. Formula:
C24H36O2

M.W.:
356.55

5 activity values

5 unique targets

Type:
---

AlogP:
6.41

Polar Surface Area:
18.46

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA5204642

Name:
5-[[(1R,2R,4aS,8aS)-2-hydroxy-2,5,5,8a-tetramethyl-decalin-1-yl]methyl]benzShow More⌵

Mol. Formula:
C21H32O3

M.W.:
332.48

5 activity values

5 unique targets

Type:
---

AlogP:
4.63

Polar Surface Area:
60.69

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA5204211

Name:
(R)-4-ethyl-2-(9H-pyrido[3,4-b]indol-1-yl)-4,5-dihydrooxazole

Mol. Formula:
C16H15N3O

M.W.:
265.32

1 activity values

1 unique targets

Type:
---

AlogP:
3.27

Polar Surface Area:
50.27

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA5200004

Name:
[(4aS,6aR,12aR,12bS)-4,4,6a,12b-tetramethyl-1,2,3,4a,5,6,12,12a-octahydrobeShow More⌵

Mol. Formula:
C31H35NO3

M.W.:
469.63

5 activity values

5 unique targets

Type:
---

AlogP:
7.39

Polar Surface Area:
48.42

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA5199915

Name:
[(6aR,12aR,12bS)-4,4,6a,12b-tetramethyl-1,2,3,4a,5,6,12,12a-octahydrobenzo[Show More⌵

Mol. Formula:
C29H37NO4

M.W.:
463.62

5 activity values

5 unique targets

Type:
---

AlogP:
7.24

Polar Surface Area:
56.79

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5199825

Name:
(4aS,6aR,12aR,12bS)-4,4,6a,12b-tetramethyl-10-(3-methylbut-2-enoxy)-1,2,3,4Show More⌵

Mol. Formula:
C26H38O2

M.W.:
382.59

5 activity values

5 unique targets

Type:
---

AlogP:
6.97

Polar Surface Area:
18.46

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA5198764

Name:
(R)-4-(tert-butyl)-2-(9H-pyrido[3,4-b]indol-1-yl)-4,5-dihydrooxazole

Mol. Formula:
C18H19N3O

M.W.:
293.37

1 activity values

1 unique targets

Type:
---

AlogP:
3.91

Polar Surface Area:
50.27

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA5197976

Name:
(4aS,6aR,12aR,12bS)-10-benzyloxy-4,4,6a,12b-tetramethyl-1,2,3,4a,5,6,12,12aShow More⌵

Mol. Formula:
C28H36O2

M.W.:
404.59

5 activity values

5 unique targets

Type:
---

AlogP:
7.20

Polar Surface Area:
18.46

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA5197927

Name:
(6aR,12aR,12bS)-4,4,6a,12b-tetramethyl-10-phenyl-1,2,3,4a,5,6,12,12a-octahyShow More⌵

Mol. Formula:
C27H34O

M.W.:
374.57

5 activity values

5 unique targets

Type:
---

AlogP:
7.29

Polar Surface Area:
9.23

HBA:
1

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA5197867

Name:
(4aS,6aR,11aR,11bS)-4,4,6a,11b-tetramethyl-1,2,3,4a,5,6,11,11a-octahydrobenShow More⌵

Mol. Formula:
C21H30O2

M.W.:
314.47

5 activity values

5 unique targets

Type:
---

AlogP:
5.15

Polar Surface Area:
40.46

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA5196616

Name:
[(4aS,6aR,12aR,12bS)-4,4,6a,12b-tetramethyl-1,2,3,4a,5,6,12,12a-octahydrobeShow More⌵

Mol. Formula:
C26H38O3

M.W.:
398.59

5 activity values

5 unique targets

Type:
---

AlogP:
6.57

Polar Surface Area:
35.53

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.40

DETAILS