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DocumentationIdentifier: MM140094
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM140094 |
| SMILES |
C=CC(C)(C=C)C(C)=O
|
| InChIKey |
FGAZKFXCLJKWMX-UHFFFAOYSA-N
|
| MW [Da] |
124.18
Automatically obtained from RDkit software. |
| LogP |
1.95
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM313881
Similarity: 0.9494
Similarity to MM313881
| Tanimoto metric | 0.9494 |
|---|---|
| Cosine metric | 0.9744 |
| Dice metric | 0.974 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM28723
Similarity: 0.7867
Similarity to MM28723
| Tanimoto metric | 0.7867 |
|---|---|
| Cosine metric | 0.8869 |
| Dice metric | 0.8806 |
| MW: | 112.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM313883
Similarity: 0.7282
Similarity to MM313883
| Tanimoto metric | 0.7282 |
|---|---|
| Cosine metric | 0.8533 |
| Dice metric | 0.8427 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+480 more
