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DocumentationIdentifier: MM323397
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM323397 |
| SMILES |
O=CC(F)C#CC(=O)CO
|
| InChIKey |
GUSAMWUEYXGXDC-UHFFFAOYSA-N
|
| MW [Da] |
144.1
Automatically obtained from RDkit software. |
| LogP |
-0.91
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM146097
Similarity: 0.7818
Similarity to MM146097
| Tanimoto metric | 0.7818 |
|---|---|
| Cosine metric | 0.8842 |
| Dice metric | 0.8776 |
| MW: | 130.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM02285
Similarity: 0.7455
Similarity to MM02285
| Tanimoto metric | 0.7455 |
|---|---|
| Cosine metric | 0.8634 |
| Dice metric | 0.8542 |
| MW: | 128.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM79239
Similarity: 0.7143
Similarity to MM79239
| Tanimoto metric | 0.7143 |
|---|---|
| Cosine metric | 0.8335 |
| Dice metric | 0.8333 |
| MW: | 144.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+219 more
