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DocumentationIdentifier: MM161326
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM161326 |
| SMILES |
C=CC(=C)C(=O)C(=C)C
|
| InChIKey |
FFFWOBVCGFQFPZ-UHFFFAOYSA-N
|
| MW [Da] |
122.17
Automatically obtained from RDkit software. |
| LogP |
1.87
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM352821
Similarity: 0.9381
Similarity to MM352821
| Tanimoto metric | 0.9381 |
|---|---|
| Cosine metric | 0.9686 |
| Dice metric | 0.9681 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM161321
Similarity: 0.7345
Similarity to MM161321
| Tanimoto metric | 0.7345 |
|---|---|
| Cosine metric | 0.8491 |
| Dice metric | 0.8469 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM112166
Similarity: 0.7143
Similarity to MM112166
| Tanimoto metric | 0.7143 |
|---|---|
| Cosine metric | 0.8452 |
| Dice metric | 0.8333 |
| MW: | 108.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+219 more
