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DocumentationIdentifier: MM358743
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM358743 |
| SMILES |
CCC#CC(=O)C(C)CC
|
| InChIKey |
MDLKIURLTXXJKA-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
2.02
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM174676
Similarity: 0.9231
Similarity to MM174676
| Tanimoto metric | 0.9231 |
|---|---|
| Cosine metric | 0.9608 |
| Dice metric | 0.96 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM358839
Similarity: 0.835
Similarity to MM358839
| Tanimoto metric | 0.835 |
|---|---|
| Cosine metric | 0.9107 |
| Dice metric | 0.9101 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM358913
Similarity: 0.7778
Similarity to MM358913
| Tanimoto metric | 0.7778 |
|---|---|
| Cosine metric | 0.8762 |
| Dice metric | 0.875 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+537 more
