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DocumentationIdentifier: MM58439
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM58439 |
| SMILES |
COCCC(=O)C(C)(C)O
|
| InChIKey |
QRLMPNMYAAWGOU-UHFFFAOYSA-N
|
| MW [Da] |
146.19
Automatically obtained from RDkit software. |
| LogP |
0.36
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM162393
Similarity: 0.7321
Similarity to MM162393
| Tanimoto metric | 0.7321 |
|---|---|
| Cosine metric | 0.8557 |
| Dice metric | 0.8454 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM61062
Similarity: 0.7194
Similarity to MM61062
| Tanimoto metric | 0.7194 |
|---|---|
| Cosine metric | 0.8385 |
| Dice metric | 0.8368 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM73162
Similarity: 0.6885
Similarity to MM73162
| Tanimoto metric | 0.6885 |
|---|---|
| Cosine metric | 0.8187 |
| Dice metric | 0.8155 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+239 more
