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DocumentationIdentifier: MM376630
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM376630 |
| SMILES |
C=CC(CCC)C(C)C=O
|
| InChIKey |
UNRLDQYJBFABTH-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
2.42
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM376634
Similarity: 0.8316
Similarity to MM376634
| Tanimoto metric | 0.8316 |
|---|---|
| Cosine metric | 0.908 |
| Dice metric | 0.908 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM376498
Similarity: 0.8043
Similarity to MM376498
| Tanimoto metric | 0.8043 |
|---|---|
| Cosine metric | 0.8926 |
| Dice metric | 0.8916 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM196977
Similarity: 0.764
Similarity to MM196977
| Tanimoto metric | 0.764 |
|---|---|
| Cosine metric | 0.8714 |
| Dice metric | 0.8662 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+628 more
