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DocumentationIdentifier: MM351526
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM351526 |
| SMILES |
C=CC(C)C(=O)C(F)C=C
|
| InChIKey |
HPWRLXGAWVYRIH-UHFFFAOYSA-N
|
| MW [Da] |
142.17
Automatically obtained from RDkit software. |
| LogP |
1.9
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM160871
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| Tanimoto metric | 0.8189 |
|---|---|
| Cosine metric | 0.9049 |
| Dice metric | 0.9004 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM242367
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| Tanimoto metric | 0.7718 |
|---|---|
| Cosine metric | 0.8718 |
| Dice metric | 0.8712 |
| MW: | 142.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM223915
Similarity: 0.7279
Similarity to MM223915
| Tanimoto metric | 0.7279 |
|---|---|
| Cosine metric | 0.8425 |
| Dice metric | 0.8425 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+128 more
