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DocumentationIdentifier: MM381283
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM381283 |
| SMILES |
O=COCC(=CCF)CO
|
| InChIKey |
BCQBMNKBNZTBIB-UHFFFAOYSA-N
|
| MW [Da] |
148.13
Automatically obtained from RDkit software. |
| LogP |
0.05
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM158838
Similarity: 0.8211
Similarity to MM158838
| Tanimoto metric | 0.8211 |
|---|---|
| Cosine metric | 0.9061 |
| Dice metric | 0.9017 |
| MW: | 132.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM238376
Similarity: 0.7248
Similarity to MM238376
| Tanimoto metric | 0.7248 |
|---|---|
| Cosine metric | 0.8405 |
| Dice metric | 0.8404 |
| MW: | 150.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM381281
Similarity: 0.7037
Similarity to MM381281
| Tanimoto metric | 0.7037 |
|---|---|
| Cosine metric | 0.8265 |
| Dice metric | 0.8261 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+306 more
