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DocumentationIdentifier: MM174324
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM174324 |
| SMILES |
C#CC(=C)C(O)C=CC
|
| InChIKey |
UNPYOTZMYJGVGW-UHFFFAOYSA-N
|
| MW [Da] |
122.17
Automatically obtained from RDkit software. |
| LogP |
1.11
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM356595
Similarity: 0.8684
Similarity to MM356595
| Tanimoto metric | 0.8684 |
|---|---|
| Cosine metric | 0.9319 |
| Dice metric | 0.9296 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM356540
Similarity: 0.8049
Similarity to MM356540
| Tanimoto metric | 0.8049 |
|---|---|
| Cosine metric | 0.8971 |
| Dice metric | 0.8919 |
| MW: | 140.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM356577
Similarity: 0.7984
Similarity to MM356577
| Tanimoto metric | 0.7984 |
|---|---|
| Cosine metric | 0.8935 |
| Dice metric | 0.8879 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+483 more
