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DocumentationIdentifier: MM212746
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM212746 |
| SMILES |
C#CC#CCC(=O)C1CN1
|
| InChIKey |
OBOFKCXHNNGZKU-UHFFFAOYSA-N
|
| MW [Da] |
133.15
Automatically obtained from RDkit software. |
| LogP |
-0.45
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM263924
Similarity: 0.745
Similarity to MM263924
| Tanimoto metric | 0.745 |
|---|---|
| Cosine metric | 0.8631 |
| Dice metric | 0.8538 |
| MW: | 109.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM266322
Similarity: 0.5685
Similarity to MM266322
| Tanimoto metric | 0.5685 |
|---|---|
| Cosine metric | 0.7254 |
| Dice metric | 0.7249 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM263586
Similarity: 0.5628
Similarity to MM263586
| Tanimoto metric | 0.5628 |
|---|---|
| Cosine metric | 0.7209 |
| Dice metric | 0.7203 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+45 more
