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DocumentationIdentifier: MM160342
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM160342 |
| SMILES |
CCC(=O)C(C)C(C)F
|
| InChIKey |
JERYAPMENGBWPC-UHFFFAOYSA-N
|
| MW [Da] |
132.18
Automatically obtained from RDkit software. |
| LogP |
1.96
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM297166
Similarity: 0.8534
Similarity to MM297166
| Tanimoto metric | 0.8534 |
|---|---|
| Cosine metric | 0.9238 |
| Dice metric | 0.9209 |
| MW: | 150.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM297285
Similarity: 0.7674
Similarity to MM297285
| Tanimoto metric | 0.7674 |
|---|---|
| Cosine metric | 0.876 |
| Dice metric | 0.8684 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM297423
Similarity: 0.7557
Similarity to MM297423
| Tanimoto metric | 0.7557 |
|---|---|
| Cosine metric | 0.8693 |
| Dice metric | 0.8609 |
| MW: | 142.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+429 more
