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DocumentationIdentifier: MM59778
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM59778 |
| SMILES |
C=C(CC(C)=O)OCCO
|
| InChIKey |
WSBSUTRDMUJXGZ-UHFFFAOYSA-N
|
| MW [Da] |
144.17
Automatically obtained from RDkit software. |
| LogP |
0.49
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM135500
Similarity: 0.8411
Similarity to MM135500
| Tanimoto metric | 0.8411 |
|---|---|
| Cosine metric | 0.9171 |
| Dice metric | 0.9137 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM223255
Similarity: 0.72
Similarity to MM223255
| Tanimoto metric | 0.72 |
|---|---|
| Cosine metric | 0.8372 |
| Dice metric | 0.8372 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM59859
Similarity: 0.6977
Similarity to MM59859
| Tanimoto metric | 0.6977 |
|---|---|
| Cosine metric | 0.8221 |
| Dice metric | 0.8219 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+82 more
