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DocumentationIdentifier: MM358121
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM358121 |
| SMILES |
CCC#CC(C)C(=O)CC
|
| InChIKey |
JXIDOGRXJDUKJB-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
MM174616
Similarity: 0.8936
Similarity to MM174616
| Tanimoto metric | 0.8936 |
|---|---|
| Cosine metric | 0.9453 |
| Dice metric | 0.9438 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM358296
Similarity: 0.8224
Similarity to MM358296
| Tanimoto metric | 0.8224 |
|---|---|
| Cosine metric | 0.9031 |
| Dice metric | 0.9026 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM293960
Similarity: 0.7938
Similarity to MM293960
| Tanimoto metric | 0.7938 |
|---|---|
| Cosine metric | 0.8879 |
| Dice metric | 0.8851 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+497 more
