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DocumentationIdentifier: MM223915
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM223915 |
| SMILES |
C=CC(C)C(=O)C(C)(C)F
|
| InChIKey |
INGBTEPPRVOUGF-UHFFFAOYSA-N
|
| MW [Da] |
144.19
Automatically obtained from RDkit software. |
| LogP |
2.13
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
Similarity: 0.8189
Similarity to MM160871
| 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
|
MM225751
Similarity: 0.7785
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| Tanimoto metric | 0.7785 |
|---|---|
| Cosine metric | 0.8762 |
| Dice metric | 0.8755 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM132128
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| Tanimoto metric | 0.7559 |
|---|---|
| Cosine metric | 0.8694 |
| Dice metric | 0.861 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+275 more
