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DocumentationIdentifier: MM363870
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM363870 |
| SMILES |
C=COCCCC(O)C#N
|
| InChIKey |
KQIBQLVVGKVMHI-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
0.81
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: 0.8101
Similarity to MM165939
| Tanimoto metric | 0.8101 |
|---|---|
| Cosine metric | 0.9001 |
| Dice metric | 0.8951 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM363578
Similarity: 0.7273
Similarity to MM363578
| Tanimoto metric | 0.7273 |
|---|---|
| Cosine metric | 0.8428 |
| Dice metric | 0.8421 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM213089
Similarity: 0.6962
Similarity to MM213089
| Tanimoto metric | 0.6962 |
|---|---|
| Cosine metric | 0.8344 |
| Dice metric | 0.8209 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+515 more
