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DocumentationIdentifier: MM273790
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM273790 |
| SMILES |
C=CC(=COC)CC(C)=O
|
| InChIKey |
ZATSXFBKPUXGET-UHFFFAOYSA-N
|
| MW [Da] |
140.18
Automatically obtained from RDkit software. |
| LogP |
1.68
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM136040
Similarity: 0.7311
Similarity to MM136040
| Tanimoto metric | 0.7311 |
|---|---|
| Cosine metric | 0.855 |
| Dice metric | 0.8447 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM15823
Similarity: 0.5762
Similarity to MM15823
| Tanimoto metric | 0.5762 |
|---|---|
| Cosine metric | 0.7311 |
| Dice metric | 0.7311 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM15812
Similarity: 0.5633
Similarity to MM15812
| Tanimoto metric | 0.5633 |
|---|---|
| Cosine metric | 0.7211 |
| Dice metric | 0.7206 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+62 more
