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DocumentationIdentifier: MM104805
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM104805 |
| SMILES |
C=CC(F)C=C(C)F
|
| InChIKey |
HALPDJSQPAWHIC-UHFFFAOYSA-N
|
| MW [Da] |
118.13
Automatically obtained from RDkit software. |
| LogP |
2.38
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM143531
Similarity: 0.7561
Similarity to MM143531
| Tanimoto metric | 0.7561 |
|---|---|
| Cosine metric | 0.8695 |
| Dice metric | 0.8611 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM97200
Similarity: 0.7419
Similarity to MM97200
| Tanimoto metric | 0.7419 |
|---|---|
| Cosine metric | 0.8614 |
| Dice metric | 0.8519 |
| MW: | 106.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM107734
Similarity: 0.7273
Similarity to MM107734
| Tanimoto metric | 0.7273 |
|---|---|
| Cosine metric | 0.8454 |
| Dice metric | 0.8421 |
| MW: | 118.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+386 more
