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DocumentationIdentifier: MM295808
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM295808 |
| SMILES |
CC#CC(=O)C(C)C#CC
|
| InChIKey |
NYYMPTLKGFDTKM-UHFFFAOYSA-N
|
| MW [Da] |
134.18
Automatically obtained from RDkit software. |
| LogP |
1.24
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM174660
Similarity: 0.8925
Similarity to MM174660
| Tanimoto metric | 0.8925 |
|---|---|
| Cosine metric | 0.9447 |
| Dice metric | 0.9432 |
| MW: | 120.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM359165
Similarity: 0.8416
Similarity to MM359165
| Tanimoto metric | 0.8416 |
|---|---|
| Cosine metric | 0.914 |
| Dice metric | 0.914 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM413935
Similarity: 0.7941
Similarity to MM413935
| Tanimoto metric | 0.7941 |
|---|---|
| Cosine metric | 0.8854 |
| Dice metric | 0.8852 |
| MW: | 130.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+485 more
