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DocumentationIdentifier: MM253332
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM253332 |
| SMILES |
C#CCC(=C)CC=C(C)C
|
| InChIKey |
WNDQURYEXUAXHB-UHFFFAOYSA-N
|
| MW [Da] |
134.22
Automatically obtained from RDkit software. |
| LogP |
2.92
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM157014
Similarity: 0.8442
Similarity to MM157014
| Tanimoto metric | 0.8442 |
|---|---|
| Cosine metric | 0.9188 |
| Dice metric | 0.9155 |
| MW: | 120.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM280513
Similarity: 0.7831
Similarity to MM280513
| Tanimoto metric | 0.7831 |
|---|---|
| Cosine metric | 0.8791 |
| Dice metric | 0.8784 |
| MW: | 134.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM280552
Similarity: 0.7303
Similarity to MM280552
| Tanimoto metric | 0.7303 |
|---|---|
| Cosine metric | 0.8442 |
| Dice metric | 0.8442 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+733 more
