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DocumentationIdentifier: MM248629
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM248629 |
| SMILES |
CCC(C)=CC(F)=C(F)F
|
| InChIKey |
FMCHGCRRJUWZML-UHFFFAOYSA-N
|
| MW [Da] |
150.14
Automatically obtained from RDkit software. |
| LogP |
3.42
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM143893
Similarity: 0.8095
Similarity to MM143893
| Tanimoto metric | 0.8095 |
|---|---|
| Cosine metric | 0.8997 |
| Dice metric | 0.8947 |
| MW: | 132.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM339366
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| Tanimoto metric | 0.7544 |
|---|---|
| Cosine metric | 0.8611 |
| Dice metric | 0.86 |
| MW: | 146.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM164171
Similarity: 0.7333
Similarity to MM164171
| Tanimoto metric | 0.7333 |
|---|---|
| Cosine metric | 0.8563 |
| Dice metric | 0.8462 |
| MW: | 136.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+420 more
