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DocumentationIdentifier: MM261861
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM261861 |
| SMILES |
CNCC(C)CC(=O)CO
|
| InChIKey |
VTSZVHYVFTWMNK-UHFFFAOYSA-N
|
| MW [Da] |
145.2
Automatically obtained from RDkit software. |
| LogP |
-0.21
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM223133
Similarity: 0.6364
Similarity to MM223133
| Tanimoto metric | 0.6364 |
|---|---|
| Cosine metric | 0.7792 |
| Dice metric | 0.7778 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM92449
Similarity: 0.6348
Similarity to MM92449
| Tanimoto metric | 0.6348 |
|---|---|
| Cosine metric | 0.782 |
| Dice metric | 0.7766 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM93287
Similarity: 0.5704
Similarity to MM93287
| Tanimoto metric | 0.5704 |
|---|---|
| Cosine metric | 0.7264 |
| Dice metric | 0.7264 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+244 more
