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DocumentationIdentifier: MM300077
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM300077 |
| SMILES |
CC#CC(=O)C(C)C(C)=O
|
| InChIKey |
AOFYCMWVCADDSD-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
0.8
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM160733
Similarity: 0.7586
Similarity to MM160733
| Tanimoto metric | 0.7586 |
|---|---|
| Cosine metric | 0.871 |
| Dice metric | 0.8627 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM174676
Similarity: 0.7241
Similarity to MM174676
| Tanimoto metric | 0.7241 |
|---|---|
| Cosine metric | 0.851 |
| Dice metric | 0.84 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM358743
Similarity: 0.6829
Similarity to MM358743
| Tanimoto metric | 0.6829 |
|---|---|
| Cosine metric | 0.8176 |
| Dice metric | 0.8116 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+239 more
