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DocumentationIdentifier: MM348951
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM348951 |
| SMILES |
CCOCC(C)C(=O)CO
|
| InChIKey |
AQRPLEHSVKKOAI-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
MM172361
Similarity: 0.8333
Similarity to MM172361
| Tanimoto metric | 0.8333 |
|---|---|
| Cosine metric | 0.9129 |
| Dice metric | 0.9091 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM162163
Similarity: 0.7745
Similarity to MM162163
| Tanimoto metric | 0.7745 |
|---|---|
| Cosine metric | 0.8801 |
| Dice metric | 0.8729 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM301452
Similarity: 0.7315
Similarity to MM301452
| Tanimoto metric | 0.7315 |
|---|---|
| Cosine metric | 0.8484 |
| Dice metric | 0.8449 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.64 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+348 more
