Compounds

ALA2252625

Name:
(2aS,5aR,9bS,9cS)-9,9c-Dimethyl-3,4,5,5a,6,6a,9b,9c-octahydro-2aH-1,7-dioxaShow More⌵

Mol. Formula:
C15H18O4

M.W.:
262.30

8 activity values

3 unique targets

Type:
Small molecule

AlogP:
1.98

Polar Surface Area:
52.60

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA459341

Name:
(S)-11-[(2R,8R,10S,11S)-2,8-Dihydroxy-4-methyl-7-oxo-11-((Z)-pent-2-enyl)-9Show More⌵

Mol. Formula:
C27H41NO8

M.W.:
507.62

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.33

Polar Surface Area:
144.60

HBA:
8

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA459340

Name:
(R)-11-[(2R,8R,10S,11S)-2,8-Dihydroxy-4-methyl-7-oxo-11-((Z)-pent-2-enyl)-9Show More⌵

Mol. Formula:
C27H41NO8

M.W.:
507.62

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.33

Polar Surface Area:
144.60

HBA:
8

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA516322

Name:
(S)-11-[(2R,8R,10S,11S)-2,8-Dihydroxy-7-oxo-11-((Z)-pent-2-enyl)-9-oxa-4-azShow More⌵

Mol. Formula:
C27H41NO8

M.W.:
507.62

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.08

Polar Surface Area:
142.39

HBA:
9

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA458078

Name:
(R)-11-[(2R,8R,10S,11S)-2,8-Dihydroxy-7-oxo-11-((Z)-pent-2-enyl)-9-oxa-4-azShow More⌵

Mol. Formula:
C27H41NO8

M.W.:
507.62

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.08

Polar Surface Area:
142.39

HBA:
9

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA515684

Name:
11-((2R,8R,10S,11S)-2,8-Dihydroxy-7-oxo-11-pentyl-9-oxa-4-aza-tricyclo[6.3.Show More⌵

Mol. Formula:
C26H41NO7

M.W.:
479.61

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.24

Polar Surface Area:
133.16

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA458077

Name:
11-[(2R,8R,10S,11S)-2,8-Dihydroxy-7-oxo-11-((Z)-pent-2-enyl)-9-oxa-4-aza-trShow More⌵

Mol. Formula:
C26H39NO7

M.W.:
477.60

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.02

Polar Surface Area:
133.16

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA515990

Name:
11-((2R,8R,10S,11S)-2,8-Dihydroxy-7-oxo-11-pentyl-9-oxa-4-aza-tricyclo[6.3.Show More⌵

Mol. Formula:
C26H41NO8

M.W.:
495.61

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.21

Polar Surface Area:
153.39

HBA:
8

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA449490

Name:
isobutyric acid(9R)-8,8-dimethyl-9,10-dihydro-2H,8H-benzo[1,2-b:3,4-b']-dipShow More⌵

Mol. Formula:
C18H20O5

M.W.:
316.35

39 activity values

7 unique targets

Type:
Small molecule

AlogP:
3.07

Polar Surface Area:
65.74

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.63

DETAILS