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DocumentationIdentifier: MM263924
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM263924 |
| SMILES |
C#CCC(=O)C1CN1
|
| InChIKey |
APPIIEUSZZNJNY-UHFFFAOYSA-N
|
| MW [Da] |
109.13
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
MM212746
Similarity: 0.745
Similarity to MM212746
| Tanimoto metric | 0.745 |
|---|---|
| Cosine metric | 0.8631 |
| Dice metric | 0.8538 |
| MW: | 133.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM398855
Similarity: 0.7117
Similarity to MM398855
| Tanimoto metric | 0.7117 |
|---|---|
| Cosine metric | 0.8436 |
| Dice metric | 0.8316 |
| MW: | 99.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM266322
Similarity: 0.6938
Similarity to MM266322
| Tanimoto metric | 0.6938 |
|---|---|
| Cosine metric | 0.8329 |
| Dice metric | 0.8192 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+45 more
