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DocumentationIdentifier: MM282840
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM282840 |
| SMILES |
CCCC#CC(=O)CC#N
|
| InChIKey |
MXSOFZILQLSXKL-UHFFFAOYSA-N
|
| MW [Da] |
135.17
Automatically obtained from RDkit software. |
| LogP |
1.27
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM158556
Similarity: 0.9221
Similarity to MM158556
| Tanimoto metric | 0.9221 |
|---|---|
| Cosine metric | 0.9602 |
| Dice metric | 0.9595 |
| MW: | 121.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM02222
Similarity: 0.8621
Similarity to MM02222
| Tanimoto metric | 0.8621 |
|---|---|
| Cosine metric | 0.9271 |
| Dice metric | 0.9259 |
| MW: | 135.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM282895
Similarity: 0.8588
Similarity to MM282895
| Tanimoto metric | 0.8588 |
|---|---|
| Cosine metric | 0.9243 |
| Dice metric | 0.9241 |
| MW: | 135.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+496 more
