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DocumentationIdentifier: MM378240
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM378240 |
| SMILES |
C=CC(CC=O)C(=O)CC
|
| InChIKey |
IMYAOUKSEGHIQV-UHFFFAOYSA-N
|
| MW [Da] |
140.18
Automatically obtained from RDkit software. |
| LogP |
1.36
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM197282
Similarity: 0.7431
Similarity to MM197282
| Tanimoto metric | 0.7431 |
|---|---|
| Cosine metric | 0.862 |
| Dice metric | 0.8526 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM378028
Similarity: 0.7373
Similarity to MM378028
| Tanimoto metric | 0.7373 |
|---|---|
| Cosine metric | 0.8505 |
| Dice metric | 0.8488 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM179936
Similarity: 0.7054
Similarity to MM179936
| Tanimoto metric | 0.7054 |
|---|---|
| Cosine metric | 0.8356 |
| Dice metric | 0.8272 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+258 more
