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DocumentationIdentifier: MM161453
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM161453 |
| SMILES |
CC(=CF)C(=O)C(C)C
|
| InChIKey |
WYDNPQGNYARWLR-UHFFFAOYSA-N
|
| MW [Da] |
130.16
Automatically obtained from RDkit software. |
| LogP |
2.08
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM112303
Similarity: 0.7475
Similarity to MM112303
| Tanimoto metric | 0.7475 |
|---|---|
| Cosine metric | 0.8646 |
| Dice metric | 0.8555 |
| MW: | 116.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM353615
Similarity: 0.7279
Similarity to MM353615
| Tanimoto metric | 0.7279 |
|---|---|
| Cosine metric | 0.8532 |
| Dice metric | 0.8426 |
| MW: | 142.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM353531
Similarity: 0.6875
Similarity to MM353531
| Tanimoto metric | 0.6875 |
|---|---|
| Cosine metric | 0.8292 |
| Dice metric | 0.8148 |
| MW: | 148.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+517 more
