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Documentation3-methylidenehexane-2,5-dione
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM02502 |
| SMILES |
C=C(CC(C)=O)C(C)=O
|
| InChIKey |
IHFHUCHZHYNAAM-UHFFFAOYSA-N
|
| MW [Da] |
126.16
Automatically obtained from RDkit software. |
| LogP |
1.11
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
21340902
|
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM246781
Similarity: 0.7788
Similarity to MM246781
| Tanimoto metric | 0.7788 |
|---|---|
| Cosine metric | 0.8825 |
| Dice metric | 0.8757 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
3-methylidene-4-oxopentanal
Similarity: 0.7654
Similarity to 3-methylidene-4-oxopentanal
| Tanimoto metric | 0.7654 |
|---|---|
| Cosine metric | 0.8749 |
| Dice metric | 0.8671 |
| MW: | 112.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM108453
Similarity: 0.7531
Similarity to MM108453
| Tanimoto metric | 0.7531 |
|---|---|
| Cosine metric | 0.8678 |
| Dice metric | 0.8592 |
| MW: | 112.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+267 more
