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DocumentationIdentifier: MM378028
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM378028 |
| SMILES |
C=CC(CCC)C(=O)CC
|
| InChIKey |
KHMQIDJKATXODH-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
2.57
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM408516
Similarity: 0.8558
Similarity to MM408516
| Tanimoto metric | 0.8558 |
|---|---|
| Cosine metric | 0.9223 |
| Dice metric | 0.9223 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM179936
Similarity: 0.8542
Similarity to MM179936
| Tanimoto metric | 0.8542 |
|---|---|
| Cosine metric | 0.9242 |
| Dice metric | 0.9213 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM197282
Similarity: 0.8438
Similarity to MM197282
| Tanimoto metric | 0.8438 |
|---|---|
| Cosine metric | 0.9186 |
| Dice metric | 0.9153 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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