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DocumentationIdentifier: MM44226
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM44226 |
| SMILES |
COC(=O)C#CC(=O)O
|
| InChIKey |
FSDQRHQVFPZDSO-UHFFFAOYSA-N
|
| MW [Da] |
128.08
Automatically obtained from RDkit software. |
| LogP |
-0.75
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM79338
Similarity: 0.9722
Similarity to MM79338
| Tanimoto metric | 0.9722 |
|---|---|
| Cosine metric | 0.986 |
| Dice metric | 0.9859 |
| MW: | 142.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM49745
Similarity: 0.8611
Similarity to MM49745
| Tanimoto metric | 0.8611 |
|---|---|
| Cosine metric | 0.9263 |
| Dice metric | 0.9254 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM37243
Similarity: 0.8286
Similarity to MM37243
| Tanimoto metric | 0.8286 |
|---|---|
| Cosine metric | 0.9103 |
| Dice metric | 0.9063 |
| MW: | 114.1 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+235 more
