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DocumentationIdentifier: MM180294
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM180294 |
| SMILES |
CCCC(=NO)C(C)C
|
| InChIKey |
AHMNLRKVMYAESR-UHFFFAOYSA-N
|
| MW [Da] |
129.2
Automatically obtained from RDkit software. |
| LogP |
2.27
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM275545
Similarity: 0.8846
Similarity to MM275545
| Tanimoto metric | 0.8846 |
|---|---|
| Cosine metric | 0.9405 |
| Dice metric | 0.9388 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM394343
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| Tanimoto metric | 0.8415 |
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| Cosine metric | 0.9173 |
| Dice metric | 0.9139 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM380786
Similarity: 0.8214
Similarity to MM380786
| Tanimoto metric | 0.8214 |
|---|---|
| Cosine metric | 0.9063 |
| Dice metric | 0.902 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+427 more
