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DocumentationIdentifier: MM359756
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM359756 |
| SMILES |
C=CC=CC(=C)C#CCC
|
| InChIKey |
OCKVORFYHPQASW-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
MM158274
Similarity: 0.8734
Similarity to MM158274
| Tanimoto metric | 0.8734 |
|---|---|
| Cosine metric | 0.9346 |
| Dice metric | 0.9324 |
| MW: | 118.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM158686
Similarity: 0.8608
Similarity to MM158686
| Tanimoto metric | 0.8608 |
|---|---|
| Cosine metric | 0.9278 |
| Dice metric | 0.9252 |
| MW: | 120.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM283206
Similarity: 0.8
Similarity to MM283206
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8894 |
| Dice metric | 0.8889 |
| MW: | 132.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+574 more
