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DocumentationIdentifier: MM293314
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM293314 |
| SMILES |
C=C(C=CCCC)C(C)=O
|
| InChIKey |
UXFZYTQZAYNGET-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
2.49
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM163418
Similarity: 0.9111
Similarity to MM163418
| Tanimoto metric | 0.9111 |
|---|---|
| Cosine metric | 0.9545 |
| Dice metric | 0.9535 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM293376
Similarity: 0.875
Similarity to MM293376
| Tanimoto metric | 0.875 |
|---|---|
| Cosine metric | 0.9333 |
| Dice metric | 0.9333 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM255644
Similarity: 0.8113
Similarity to MM255644
| Tanimoto metric | 0.8113 |
|---|---|
| Cosine metric | 0.8976 |
| Dice metric | 0.8958 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+365 more
