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DocumentationIdentifier: MM15982
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM15982 |
| SMILES |
C=CC(=O)CC(=O)COC
|
| InChIKey |
HROMBVDUKQSFEF-UHFFFAOYSA-N
|
| MW [Da] |
142.15
Automatically obtained from RDkit software. |
| LogP |
0.35
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM41139
Similarity: 0.729
Similarity to MM41139
| Tanimoto metric | 0.729 |
|---|---|
| Cosine metric | 0.8538 |
| Dice metric | 0.8432 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM236970
Similarity: 0.6452
Similarity to MM236970
| Tanimoto metric | 0.6452 |
|---|---|
| Cosine metric | 0.7853 |
| Dice metric | 0.7843 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM246796
Similarity: 0.5753
Similarity to MM246796
| Tanimoto metric | 0.5753 |
|---|---|
| Cosine metric | 0.7322 |
| Dice metric | 0.7304 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+83 more
