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DocumentationIdentifier: MM174934
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM174934 |
| SMILES |
C=COC(=C)C(C)=CC
|
| InChIKey |
HUNJRDJPJLETKL-UHFFFAOYSA-N
|
| MW [Da] |
124.18
Automatically obtained from RDkit software. |
| LogP |
2.63
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM354979
Similarity: 0.8624
Similarity to MM354979
| Tanimoto metric | 0.8624 |
|---|---|
| Cosine metric | 0.9286 |
| Dice metric | 0.9261 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM112330
Similarity: 0.7872
Similarity to MM112330
| Tanimoto metric | 0.7872 |
|---|---|
| Cosine metric | 0.8873 |
| Dice metric | 0.881 |
| MW: | 112.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM417031
Similarity: 0.7581
Similarity to MM417031
| Tanimoto metric | 0.7581 |
|---|---|
| Cosine metric | 0.8707 |
| Dice metric | 0.8624 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+209 more
