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DocumentationIdentifier: MM171806
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM171806 |
| SMILES |
OCC(O)C(F)CCF
|
| InChIKey |
VOVKJHWYAQRXDW-UHFFFAOYSA-N
|
| MW [Da] |
140.13
Automatically obtained from RDkit software. |
| LogP |
0.04
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM268301
Similarity: 0.7521
Similarity to MM268301
| Tanimoto metric | 0.7521 |
|---|---|
| Cosine metric | 0.8672 |
| Dice metric | 0.8585 |
| MW: | 154.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM111507
Similarity: 0.7473
Similarity to MM111507
| Tanimoto metric | 0.7473 |
|---|---|
| Cosine metric | 0.8644 |
| Dice metric | 0.8553 |
| MW: | 122.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM34351
Similarity: 0.7033
Similarity to MM34351
| Tanimoto metric | 0.7033 |
|---|---|
| Cosine metric | 0.8386 |
| Dice metric | 0.8258 |
| MW: | 124.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+434 more
