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DocumentationIdentifier: MM83248
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM83248 |
| SMILES |
C=COCC(=C)OCCO
|
| InChIKey |
UZYDQXWTCSZZPJ-UHFFFAOYSA-N
|
| MW [Da] |
144.17
Automatically obtained from RDkit software. |
| LogP |
0.67
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM69459
Similarity: 0.8667
Similarity to MM69459
| Tanimoto metric | 0.8667 |
|---|---|
| Cosine metric | 0.9294 |
| Dice metric | 0.9286 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM45871
Similarity: 0.863
Similarity to MM45871
| Tanimoto metric | 0.863 |
|---|---|
| Cosine metric | 0.929 |
| Dice metric | 0.9265 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM83172
Similarity: 0.7975
Similarity to MM83172
| Tanimoto metric | 0.7975 |
|---|---|
| Cosine metric | 0.8877 |
| Dice metric | 0.8873 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+615 more
