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DocumentationIdentifier: MM165939
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM165939 |
| SMILES |
COCCCC(O)C#N
|
| InChIKey |
PBDVLSKTZBHVOC-UHFFFAOYSA-N
|
| MW [Da] |
129.16
Automatically obtained from RDkit software. |
| LogP |
0.3
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM363578
Similarity: 0.8767
Similarity to MM363578
| Tanimoto metric | 0.8767 |
|---|---|
| Cosine metric | 0.9363 |
| Dice metric | 0.9343 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM363870
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| Tanimoto metric | 0.8101 |
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| Cosine metric | 0.9001 |
| Dice metric | 0.8951 |
| MW: | 141.17 |
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.81 |
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| AI: | 0
Total active interactions
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MM402905
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Similarity to MM402905
| Tanimoto metric | 0.7805 |
|---|---|
| Cosine metric | 0.8835 |
| Dice metric | 0.8767 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+416 more
