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DocumentationIdentifier: MM142361
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM142361 |
| SMILES |
C=CC(=C)CC(C)C=C
|
| InChIKey |
VVXDWUYZNXHWCV-UHFFFAOYSA-N
|
| MW [Da] |
122.21
Automatically obtained from RDkit software. |
| LogP |
2.94
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM330465
Similarity: 0.8611
Similarity to MM330465
| Tanimoto metric | 0.8611 |
|---|---|
| Cosine metric | 0.928 |
| Dice metric | 0.9254 |
| MW: | 134.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM104333
Similarity: 0.7581
Similarity to MM104333
| Tanimoto metric | 0.7581 |
|---|---|
| Cosine metric | 0.8707 |
| Dice metric | 0.8624 |
| MW: | 110.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM172752
Similarity: 0.7568
Similarity to MM172752
| Tanimoto metric | 0.7568 |
|---|---|
| Cosine metric | 0.8625 |
| Dice metric | 0.8615 |
| MW: | 122.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+604 more
