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DocumentationIdentifier: MM244668
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM244668 |
| SMILES |
CCC(F)CC(F)C(C)O
|
| InChIKey |
WIBDWANRVZBQDB-UHFFFAOYSA-N
|
| MW [Da] |
152.18
Automatically obtained from RDkit software. |
| LogP |
1.84
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM133503
Similarity: 0.9
Similarity to MM133503
| Tanimoto metric | 0.9 |
|---|---|
| Cosine metric | 0.9487 |
| Dice metric | 0.9474 |
| MW: | 138.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM268301
Similarity: 0.7402
Similarity to MM268301
| Tanimoto metric | 0.7402 |
|---|---|
| Cosine metric | 0.8545 |
| Dice metric | 0.8507 |
| MW: | 154.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM144020
Similarity: 0.68
Similarity to MM144020
| Tanimoto metric | 0.68 |
|---|---|
| Cosine metric | 0.8246 |
| Dice metric | 0.8095 |
| MW: | 134.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+468 more
