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DocumentationIdentifier: MM24085
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM24085 |
| SMILES |
C=COC(C)=O
|
| InChIKey |
XTXRWKRVRITETP-UHFFFAOYSA-N
|
| MW [Da] |
86.09
Automatically obtained from RDkit software. |
| LogP |
0.69
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM97515
Similarity: 0.7273
Similarity to MM97515
| Tanimoto metric | 0.7273 |
|---|---|
| Cosine metric | 0.8528 |
| Dice metric | 0.8421 |
| MW: | 100.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM26468
Similarity: 0.6957
Similarity to MM26468
| Tanimoto metric | 0.6957 |
|---|---|
| Cosine metric | 0.8341 |
| Dice metric | 0.8205 |
| MW: | 102.09 |
||||
|---|---|---|---|---|---|
| PI: | 4
Total passive interactions
|
| LogP: | -0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM97516
Similarity: 0.6957
Similarity to MM97516
| Tanimoto metric | 0.6957 |
|---|---|
| Cosine metric | 0.8341 |
| Dice metric | 0.8205 |
| MW: | 104.08 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+252 more
