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DocumentationIdentifier: MM98617
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM98617 |
| SMILES |
C=CC(=C)C(=C)C
|
| InChIKey |
LOKUIYQQHLBJKR-UHFFFAOYSA-N
|
| MW [Da] |
94.16
Automatically obtained from RDkit software. |
| LogP |
2.3
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM112162
Similarity: 0.85
Similarity to MM112162
| Tanimoto metric | 0.85 |
|---|---|
| Cosine metric | 0.922 |
| Dice metric | 0.9189 |
| MW: | 106.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM109179
Similarity: 0.7391
Similarity to MM109179
| Tanimoto metric | 0.7391 |
|---|---|
| Cosine metric | 0.8597 |
| Dice metric | 0.85 |
| MW: | 108.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM26523
Similarity: 0.7368
Similarity to MM26523
| Tanimoto metric | 0.7368 |
|---|---|
| Cosine metric | 0.8489 |
| Dice metric | 0.8485 |
| MW: | 94.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+244 more
