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DocumentationIdentifier: MM351172
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM351172 |
| SMILES |
C=CC(C)C(=O)C(F)CC
|
| InChIKey |
DDTFTKORFYTZFP-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 |
Similar entries
MM160871
Similarity: 0.7761
Similarity to MM160871
| Tanimoto metric | 0.7761 |
|---|---|
| Cosine metric | 0.881 |
| Dice metric | 0.8739 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM298361
Similarity: 0.7215
Similarity to MM298361
| Tanimoto metric | 0.7215 |
|---|---|
| Cosine metric | 0.8383 |
| Dice metric | 0.8382 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM351526
Similarity: 0.6731
Similarity to MM351526
| Tanimoto metric | 0.6731 |
|---|---|
| Cosine metric | 0.8049 |
| Dice metric | 0.8046 |
| MW: | 142.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+137 more
