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Documentation4-oxohept-6-ynal
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM02431 |
| SMILES |
C#CCC(=O)CCC=O
|
| InChIKey |
LZODUMPGEGCELP-UHFFFAOYSA-N
|
| MW [Da] |
124.14
Automatically obtained from RDkit software. |
| LogP |
0.56
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
87547761
|
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM107432
Similarity: 0.8
Similarity to MM107432
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
| MW: | 110.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM156637
Similarity: 0.7463
Similarity to MM156637
| Tanimoto metric | 0.7463 |
|---|---|
| Cosine metric | 0.855 |
| Dice metric | 0.8547 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM292444
Similarity: 0.7324
Similarity to MM292444
| Tanimoto metric | 0.7324 |
|---|---|
| Cosine metric | 0.8458 |
| Dice metric | 0.8455 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+254 more
