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DocumentationIdentifier: MM151127
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM151127 |
| SMILES |
N#CCC#CCNCC#N
|
| InChIKey |
KQICXYLMOLLECC-UHFFFAOYSA-N
|
| MW [Da] |
133.15
Automatically obtained from RDkit software. |
| LogP |
0.02
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM214286
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| Tanimoto metric | 0.8615 |
|---|---|
| Cosine metric | 0.9282 |
| Dice metric | 0.9256 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.8462 |
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.51 |
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|---|---|---|---|---|---|
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Total active interactions
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MM454030
Similarity: 0.7671
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| Tanimoto metric | 0.7671 |
|---|---|
| Cosine metric | 0.8682 |
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| MW: | 132.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+484 more
