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DocumentationIdentifier: MM84414
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM84414 |
| SMILES |
CCCCC(F)C(O)CO
|
| InChIKey |
CNSDJPKSMRQQSH-UHFFFAOYSA-N
|
| MW [Da] |
150.19
Automatically obtained from RDkit software. |
| LogP |
0.87
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM171805
Similarity: 0.8776
Similarity to MM171805
| Tanimoto metric | 0.8776 |
|---|---|
| Cosine metric | 0.9368 |
| Dice metric | 0.9348 |
| MW: | 136.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM361790
Similarity: 0.7719
Similarity to MM361790
| Tanimoto metric | 0.7719 |
|---|---|
| Cosine metric | 0.8717 |
| Dice metric | 0.8713 |
| MW: | 154.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM362091
Similarity: 0.7049
Similarity to MM362091
| Tanimoto metric | 0.7049 |
|---|---|
| Cosine metric | 0.8283 |
| Dice metric | 0.8269 |
| MW: | 148.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.64 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+409 more
