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DocumentationIdentifier: MM383616
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM383616 |
| SMILES |
C=CC(O)C(C=O)=CCO
|
| InChIKey |
OSXHEXWUJRYVLT-UHFFFAOYSA-N
|
| MW [Da] |
142.15
Automatically obtained from RDkit software. |
| LogP |
-0.35
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM197960
Similarity: 0.7971
Similarity to MM197960
| Tanimoto metric | 0.7971 |
|---|---|
| Cosine metric | 0.8928 |
| Dice metric | 0.8871 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM383716
Similarity: 0.6707
Similarity to MM383716
| Tanimoto metric | 0.6707 |
|---|---|
| Cosine metric | 0.8029 |
| Dice metric | 0.8029 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM383720
Similarity: 0.6395
Similarity to MM383720
| Tanimoto metric | 0.6395 |
|---|---|
| Cosine metric | 0.7803 |
| Dice metric | 0.7801 |
| MW: | 137.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+93 more
