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DocumentationIdentifier: MM287880
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM287880 |
| SMILES |
CC(=O)COCC#CC=O
|
| InChIKey |
VIFAKCJMHAVVMO-UHFFFAOYSA-N
|
| MW [Da] |
140.14
Automatically obtained from RDkit software. |
| LogP |
-0.21
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM214234
Similarity: 0.7671
Similarity to MM214234
| Tanimoto metric | 0.7671 |
|---|---|
| Cosine metric | 0.8759 |
| Dice metric | 0.8682 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM367447
Similarity: 0.764
Similarity to MM367447
| Tanimoto metric | 0.764 |
|---|---|
| Cosine metric | 0.8684 |
| Dice metric | 0.8662 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM367376
Similarity: 0.7586
Similarity to MM367376
| Tanimoto metric | 0.7586 |
|---|---|
| Cosine metric | 0.8636 |
| Dice metric | 0.8627 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+276 more
