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DocumentationIdentifier: MM57812
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM57812 |
| SMILES |
CC(C=O)OC(C)(C)CO
|
| InChIKey |
KCKRWYNXDBBGBR-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
MM141696
Similarity: 0.7805
Similarity to MM141696
| Tanimoto metric | 0.7805 |
|---|---|
| Cosine metric | 0.8835 |
| Dice metric | 0.8767 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM224204
Similarity: 0.7609
Similarity to MM224204
| Tanimoto metric | 0.7609 |
|---|---|
| Cosine metric | 0.8643 |
| Dice metric | 0.8642 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM326249
Similarity: 0.7111
Similarity to MM326249
| Tanimoto metric | 0.7111 |
|---|---|
| Cosine metric | 0.8329 |
| Dice metric | 0.8312 |
| MW: | 148.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+496 more
