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DocumentationIdentifier: MM130694
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM130694 |
| SMILES |
CC(C)OC(C)(C)C=O
|
| InChIKey |
HEVUBFGBYDPOPG-UHFFFAOYSA-N
|
| MW [Da] |
130.19
Automatically obtained from RDkit software. |
| LogP |
1.39
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM130077
Similarity: 0.8525
Similarity to MM130077
| Tanimoto metric | 0.8525 |
|---|---|
| Cosine metric | 0.9213 |
| Dice metric | 0.9204 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM229176
Similarity: 0.8082
Similarity to MM229176
| Tanimoto metric | 0.8082 |
|---|---|
| Cosine metric | 0.899 |
| Dice metric | 0.8939 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM224275
Similarity: 0.7536
Similarity to MM224275
| Tanimoto metric | 0.7536 |
|---|---|
| Cosine metric | 0.8598 |
| Dice metric | 0.8595 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+419 more
