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DocumentationIdentifier: MM349678
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM349678 |
| SMILES |
C=CC(=O)C(C)OCCC
|
| InChIKey |
XIHUXLLZTPOYEV-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
1.56
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM172727
Similarity: 0.875
Similarity to MM172727
| Tanimoto metric | 0.875 |
|---|---|
| Cosine metric | 0.9354 |
| Dice metric | 0.9333 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM84734
Similarity: 0.7615
Similarity to MM84734
| Tanimoto metric | 0.7615 |
|---|---|
| Cosine metric | 0.8648 |
| Dice metric | 0.8646 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM349826
Similarity: 0.7259
Similarity to MM349826
| Tanimoto metric | 0.7259 |
|---|---|
| Cosine metric | 0.8418 |
| Dice metric | 0.8412 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+250 more
