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DocumentationIdentifier: MM361218
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM361218 |
| SMILES |
CC#CC=C(C)C#CC=O
|
| InChIKey |
OSJIJQTWYCVWSZ-UHFFFAOYSA-N
|
| MW [Da] |
132.16
Automatically obtained from RDkit software. |
| LogP |
1.16
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM159431
Similarity: 0.9459
Similarity to MM159431
| Tanimoto metric | 0.9459 |
|---|---|
| Cosine metric | 0.9726 |
| Dice metric | 0.9722 |
| MW: | 118.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM292561
Similarity: 0.8947
Similarity to MM292561
| Tanimoto metric | 0.8947 |
|---|---|
| Cosine metric | 0.9448 |
| Dice metric | 0.9444 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM362688
Similarity: 0.8571
Similarity to MM362688
| Tanimoto metric | 0.8571 |
|---|---|
| Cosine metric | 0.9243 |
| Dice metric | 0.9231 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+322 more
