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DocumentationIdentifier: MM363578
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM363578 |
| SMILES |
CCOCCCC(O)C#N
|
| InChIKey |
KMLVIAFEKBFOGG-UHFFFAOYSA-N
|
| MW [Da] |
143.19
Automatically obtained from RDkit software. |
| LogP |
0.69
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM165939
Similarity: 0.8767
Similarity to MM165939
| Tanimoto metric | 0.8767 |
|---|---|
| Cosine metric | 0.9363 |
| Dice metric | 0.9343 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM363870
Similarity: 0.7273
Similarity to MM363870
| Tanimoto metric | 0.7273 |
|---|---|
| Cosine metric | 0.8428 |
| Dice metric | 0.8421 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM402905
Similarity: 0.7033
Similarity to MM402905
| Tanimoto metric | 0.7033 |
|---|---|
| Cosine metric | 0.8272 |
| Dice metric | 0.8258 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+513 more
