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DocumentationIdentifier: MM34506
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM34506 |
| SMILES |
CC(C)C(=O)CCO
|
| InChIKey |
PWKGUHIWXLFLFN-UHFFFAOYSA-N
|
| MW [Da] |
116.16
Automatically obtained from RDkit software. |
| LogP |
0.59
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM35474
Similarity: 0.7619
Similarity to MM35474
| Tanimoto metric | 0.7619 |
|---|---|
| Cosine metric | 0.8677 |
| Dice metric | 0.8649 |
| MW: | 116.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM160782
Similarity: 0.7391
Similarity to MM160782
| Tanimoto metric | 0.7391 |
|---|---|
| Cosine metric | 0.8597 |
| Dice metric | 0.85 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM162392
Similarity: 0.7391
Similarity to MM162392
| Tanimoto metric | 0.7391 |
|---|---|
| Cosine metric | 0.8597 |
| Dice metric | 0.85 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+385 more
