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DocumentationIdentifier: MM438279
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM438279 |
| SMILES |
CC#CC(=O)CCN1CC1
|
| InChIKey |
OEHMOKVOKASPGF-UHFFFAOYSA-N
|
| MW [Da] |
137.18
Automatically obtained from RDkit software. |
| LogP |
0.28
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM405590
Similarity: 0.8509
Similarity to MM405590
| Tanimoto metric | 0.8509 |
|---|---|
| Cosine metric | 0.9224 |
| Dice metric | 0.9194 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM279577
Similarity: 0.7982
Similarity to MM279577
| Tanimoto metric | 0.7982 |
|---|---|
| Cosine metric | 0.8934 |
| Dice metric | 0.8878 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM68072
Similarity: 0.693
Similarity to MM68072
| Tanimoto metric | 0.693 |
|---|---|
| Cosine metric | 0.8325 |
| Dice metric | 0.8187 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+253 more
