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DocumentationIdentifier: MM266224
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM266224 |
| SMILES |
C#CC(=O)CC(C)=CC=C
|
| InChIKey |
IXSHDXNBFYEMGA-UHFFFAOYSA-N
|
| MW [Da] |
134.18
Automatically obtained from RDkit software. |
| LogP |
1.71
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM143214
Similarity: 0.8053
Similarity to MM143214
| Tanimoto metric | 0.8053 |
|---|---|
| Cosine metric | 0.8974 |
| Dice metric | 0.8922 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM266198
Similarity: 0.7222
Similarity to MM266198
| Tanimoto metric | 0.7222 |
|---|---|
| Cosine metric | 0.8394 |
| Dice metric | 0.8387 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM248559
Similarity: 0.7188
Similarity to MM248559
| Tanimoto metric | 0.7188 |
|---|---|
| Cosine metric | 0.8367 |
| Dice metric | 0.8364 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+245 more
