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DocumentationIdentifier: MM179101
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM179101 |
| SMILES |
CCC=C(C#N)CCC
|
| InChIKey |
IZHXLXHDKKJAFE-UHFFFAOYSA-N
|
| MW [Da] |
123.2
Automatically obtained from RDkit software. |
| LogP |
2.65
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM116511
Similarity: 0.8696
Similarity to MM116511
| Tanimoto metric | 0.8696 |
|---|---|
| Cosine metric | 0.9325 |
| Dice metric | 0.9302 |
| MW: | 109.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM382044
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Similarity to MM382044
| Tanimoto metric | 0.8625 |
|---|---|
| Cosine metric | 0.9287 |
| Dice metric | 0.9262 |
| MW: | 137.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM386076
Similarity: 0.8313
Similarity to MM386076
| Tanimoto metric | 0.8313 |
|---|---|
| Cosine metric | 0.9118 |
| Dice metric | 0.9079 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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