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DocumentationIdentifier: MM254631
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM254631 |
| SMILES |
CC(=O)COC(C)C(C)O
|
| InChIKey |
DGBUQTNWIWUYII-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
MM340710
Similarity: 0.8018
Similarity to MM340710
| Tanimoto metric | 0.8018 |
|---|---|
| Cosine metric | 0.8904 |
| Dice metric | 0.89 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM162092
Similarity: 0.7573
Similarity to MM162092
| Tanimoto metric | 0.7573 |
|---|---|
| Cosine metric | 0.8702 |
| Dice metric | 0.8619 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM144376
Similarity: 0.6602
Similarity to MM144376
| Tanimoto metric | 0.6602 |
|---|---|
| Cosine metric | 0.8125 |
| Dice metric | 0.7953 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+294 more
