Substance Information
| In ZINC since |
Heavy atoms |
Benign functionality |
| June 19th, 2008 |
27 |
Yes
|
Popular Name:
7-(4,5,6,7,8,9-hexahydrocycloocta[d]thiophene-2-carbonylamino)-2,3-dihydro-1,4-benzodioxine-6-carbox
7-(4,5,6,7,8,9-hexahydrocyclooct…
Find On:
PubMed —
Wikipedia —
Google
Download:
MOL2
SDF
SMILES
Flexibase
Physical Representations
|
Type
pH range
|
xlogP
|
Des A‑Pol
Apolar desolvation
(kcal/mol)
|
Des Pol
Polar desolvation
(kcal/mol)
|
H Don
H-bond donors
|
H Acc
H-bond acceptors
|
Chg
Net charge
|
tPSA
(Ų)
|
MWT
Molecular weight
(g/mol)
|
RB
Rotatable bonds
|
DL |
|
Ref
Reference (pH 7)
|
4.44 |
8.21 |
-52.75 |
1 |
6 |
-1 |
88 |
386.449 |
3 |
↓
|
Rings
-
Thiophene
-
2,3-dihydro-1,4-dioxine
-
Benzene
-
Cyclooctene
-
2,3-dihydro-1,4-benzodioxine
-
4,5,6,7,8,9-hexahydrocycloocta[b…
![4,5,6,7,8,9-hexahydrocycloocta[b]thiophene](//zinc12.docking.org/img/rings/4204.gif)
-
N-(2,3-dihydro-1,4-benzodioxin-6…
![N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide](//zinc12.docking.org/img/rings/148699.gif)
No pre-computed analogs available. Try a structural similarity search.
![4,5,6,7,8,9-hexahydrocycloocta[b]thiophene](http://zinc12.docking.org/img/rings/4204.gif)
![N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide](http://zinc12.docking.org/img/rings/148699.gif)