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DocumentationIdentifier: MM295297
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM295297 |
| SMILES |
CC#CC(=O)C(O)CCC
|
| InChIKey |
LWEKMXIDBAZPRG-UHFFFAOYSA-N
|
| MW [Da] |
140.18
Automatically obtained from RDkit software. |
| LogP |
0.74
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM358749
Similarity: 0.7687
Similarity to MM358749
| Tanimoto metric | 0.7687 |
|---|---|
| Cosine metric | 0.8701 |
| Dice metric | 0.8692 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM295336
Similarity: 0.7413
Similarity to MM295336
| Tanimoto metric | 0.7413 |
|---|---|
| Cosine metric | 0.8514 |
| Dice metric | 0.8514 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM358845
Similarity: 0.7163
Similarity to MM358845
| Tanimoto metric | 0.7163 |
|---|---|
| Cosine metric | 0.835 |
| Dice metric | 0.8347 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+325 more
