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DocumentationIdentifier: MM158606
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM158606 |
| SMILES |
C#CC#CC(=O)CC=C
|
| InChIKey |
UFXNKVLYYUFAOC-UHFFFAOYSA-N
|
| MW [Da] |
118.14
Automatically obtained from RDkit software. |
| LogP |
0.77
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM283115
Similarity: 0.8837
Similarity to MM283115
| Tanimoto metric | 0.8837 |
|---|---|
| Cosine metric | 0.9401 |
| Dice metric | 0.9383 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM359199
Similarity: 0.8352
Similarity to MM359199
| Tanimoto metric | 0.8352 |
|---|---|
| Cosine metric | 0.9139 |
| Dice metric | 0.9102 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM34166
Similarity: 0.8026
Similarity to MM34166
| Tanimoto metric | 0.8026 |
|---|---|
| Cosine metric | 0.8959 |
| Dice metric | 0.8905 |
| MW: | 108.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+252 more
