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DocumentationIdentifier: MM299453
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM299453 |
| SMILES |
C=C(C=CC)C(C)C(C)=O
|
| InChIKey |
OXCLZXMACJPTLK-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
2.34
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM160671
Similarity: 0.7879
Similarity to MM160671
| Tanimoto metric | 0.7879 |
|---|---|
| Cosine metric | 0.8876 |
| Dice metric | 0.8814 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM174405
Similarity: 0.6439
Similarity to MM174405
| Tanimoto metric | 0.6439 |
|---|---|
| Cosine metric | 0.8025 |
| Dice metric | 0.7834 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM350845
Similarity: 0.642
Similarity to MM350845
| Tanimoto metric | 0.642 |
|---|---|
| Cosine metric | 0.782 |
| Dice metric | 0.782 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+118 more
