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DocumentationIdentifier: MM58527
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM58527 |
| SMILES |
COCC(C=O)C(C)(C)O
|
| InChIKey |
WAVPXVSTYBTRPC-UHFFFAOYSA-N
|
| MW [Da] |
146.19
Automatically obtained from RDkit software. |
| LogP |
0.22
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM179707
Similarity: 0.7627
Similarity to MM179707
| Tanimoto metric | 0.7627 |
|---|---|
| Cosine metric | 0.8733 |
| Dice metric | 0.8654 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM132010
Similarity: 0.6441
Similarity to MM132010
| Tanimoto metric | 0.6441 |
|---|---|
| Cosine metric | 0.8025 |
| Dice metric | 0.7835 |
| MW: | 132.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM392671
Similarity: 0.6429
Similarity to MM392671
| Tanimoto metric | 0.6429 |
|---|---|
| Cosine metric | 0.7829 |
| Dice metric | 0.7826 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.64 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+211 more
