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DocumentationIdentifier: MM358951
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM358951 |
| SMILES |
C#CC#CC(=C)COC=O
|
| InChIKey |
CCFPAXQDRPEQMD-UHFFFAOYSA-N
|
| MW [Da] |
134.13
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
MM157566
Similarity: 0.8469
Similarity to MM157566
| Tanimoto metric | 0.8469 |
|---|---|
| Cosine metric | 0.9203 |
| Dice metric | 0.9171 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM158540
Similarity: 0.7959
Similarity to MM158540
| Tanimoto metric | 0.7959 |
|---|---|
| Cosine metric | 0.8921 |
| Dice metric | 0.8864 |
| MW: | 120.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM83985
Similarity: 0.7636
Similarity to MM83985
| Tanimoto metric | 0.7636 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.866 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+262 more
