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DocumentationIdentifier: MM298507
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM298507 |
| SMILES |
C=CC(C=O)C(=O)C(C)C
|
| InChIKey |
NJRKYVLNRJSDFK-UHFFFAOYSA-N
|
| MW [Da] |
140.18
Automatically obtained from RDkit software. |
| LogP |
1.21
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM197460
Similarity: 0.8515
Similarity to MM197460
| Tanimoto metric | 0.8515 |
|---|---|
| Cosine metric | 0.9228 |
| Dice metric | 0.9198 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.97 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM410786
Similarity: 0.7876
Similarity to MM410786
| Tanimoto metric | 0.7876 |
|---|---|
| Cosine metric | 0.8812 |
| Dice metric | 0.8812 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM160869
Similarity: 0.6733
Similarity to MM160869
| Tanimoto metric | 0.6733 |
|---|---|
| Cosine metric | 0.8205 |
| Dice metric | 0.8047 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+77 more
