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DocumentationIdentifier: MM42361
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM42361 |
| SMILES |
CCOC(C)(C=O)C=O
|
| InChIKey |
IKDJTHAWXYKEQD-UHFFFAOYSA-N
|
| MW [Da] |
130.14
Automatically obtained from RDkit software. |
| LogP |
0.18
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM229176
Similarity: 0.9178
Similarity to MM229176
| Tanimoto metric | 0.9178 |
|---|---|
| Cosine metric | 0.958 |
| Dice metric | 0.9571 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM77334
Similarity: 0.8481
Similarity to MM77334
| Tanimoto metric | 0.8481 |
|---|---|
| Cosine metric | 0.9209 |
| Dice metric | 0.9178 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM309352
Similarity: 0.8272
Similarity to MM309352
| Tanimoto metric | 0.8272 |
|---|---|
| Cosine metric | 0.9095 |
| Dice metric | 0.9054 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+286 more
