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DocumentationIdentifier: MM170224
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM170224 |
| SMILES |
C=CC(=C)C=CC=CC
|
| InChIKey |
LNNPHVLHPWTUFB-UHFFFAOYSA-N
|
| MW [Da] |
120.2
Automatically obtained from RDkit software. |
| LogP |
2.86
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM282464
Similarity: 0.9615
Similarity to MM282464
| Tanimoto metric | 0.9615 |
|---|---|
| Cosine metric | 0.9806 |
| Dice metric | 0.9804 |
| MW: | 134.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM158214
Similarity: 0.8462
Similarity to MM158214
| Tanimoto metric | 0.8462 |
|---|---|
| Cosine metric | 0.9175 |
| Dice metric | 0.9167 |
| MW: | 120.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM114340
Similarity: 0.8
Similarity to MM114340
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
| MW: | 106.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+184 more
