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DocumentationIdentifier: MM160341
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM160341 |
| SMILES |
CC(O)C(C)C(=O)CO
|
| InChIKey |
UAFCVHAXODPLTF-UHFFFAOYSA-N
|
| MW [Da] |
132.16
Automatically obtained from RDkit software. |
| LogP |
-0.44
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM349454
Similarity: 0.75
Similarity to MM349454
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM234781
Similarity: 0.7445
Similarity to MM234781
| Tanimoto metric | 0.7445 |
|---|---|
| Cosine metric | 0.8629 |
| Dice metric | 0.8536 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM53351
Similarity: 0.7407
Similarity to MM53351
| Tanimoto metric | 0.7407 |
|---|---|
| Cosine metric | 0.8542 |
| Dice metric | 0.8511 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+459 more
