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Documentation5-methylhex-5-ene-2,4-dione
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM02860 |
| SMILES |
C=C(C)C(=O)CC(C)=O
|
| InChIKey |
RKAZWPVRTYSEED-UHFFFAOYSA-N
|
| MW [Da] |
126.16
Automatically obtained from RDkit software. |
| LogP |
1.11
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
15683512
|
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM246795
Similarity: 0.9063
Similarity to MM246795
| Tanimoto metric | 0.9063 |
|---|---|
| Cosine metric | 0.952 |
| Dice metric | 0.9508 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM15789
Similarity: 0.7436
Similarity to MM15789
| Tanimoto metric | 0.7436 |
|---|---|
| Cosine metric | 0.8623 |
| Dice metric | 0.8529 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM142689
Similarity: 0.7253
Similarity to MM142689
| Tanimoto metric | 0.7253 |
|---|---|
| Cosine metric | 0.8457 |
| Dice metric | 0.8408 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+256 more
