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DocumentationIdentifier: MM290335
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM290335 |
| SMILES |
COC=COCC=C(C)C
|
| InChIKey |
VEANKZHMIYPWBF-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
2.09
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM214015
Similarity: 0.8033
Similarity to MM214015
| Tanimoto metric | 0.8033 |
|---|---|
| Cosine metric | 0.8963 |
| Dice metric | 0.8909 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM106564
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Similarity to MM106564
| Tanimoto metric | 0.7377 |
|---|---|
| Cosine metric | 0.8589 |
| Dice metric | 0.8491 |
| MW: | 112.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM450227
Similarity: 0.7313
Similarity to MM450227
| Tanimoto metric | 0.7313 |
|---|---|
| Cosine metric | 0.846 |
| Dice metric | 0.8448 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+506 more
