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DocumentationIdentifier: MM282014
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM282014 |
| SMILES |
C#CCC(=C)C=CCC=C
|
| InChIKey |
DCQCZONHHPYXIT-UHFFFAOYSA-N
|
| MW [Da] |
132.21
Automatically obtained from RDkit software. |
| LogP |
2.7
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM158074
Similarity: 0.8684
Similarity to MM158074
| Tanimoto metric | 0.8684 |
|---|---|
| Cosine metric | 0.9319 |
| Dice metric | 0.9296 |
| MW: | 120.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM282002
Similarity: 0.85
Similarity to MM282002
| Tanimoto metric | 0.85 |
|---|---|
| Cosine metric | 0.9193 |
| Dice metric | 0.9189 |
| MW: | 134.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM282026
Similarity: 0.8049
Similarity to MM282026
| Tanimoto metric | 0.8049 |
|---|---|
| Cosine metric | 0.8922 |
| Dice metric | 0.8919 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+349 more
