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DocumentationIdentifier: MM143266
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM143266 |
| SMILES |
CCC(F)=CC(C)CC
|
| InChIKey |
FAKOVLNFMVXKMP-UHFFFAOYSA-N
|
| MW [Da] |
130.21
Automatically obtained from RDkit software. |
| LogP |
3.3
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM335141
Similarity: 0.8837
Similarity to MM335141
| Tanimoto metric | 0.8837 |
|---|---|
| Cosine metric | 0.9401 |
| Dice metric | 0.9383 |
| MW: | 144.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM266346
Similarity: 0.8261
Similarity to MM266346
| Tanimoto metric | 0.8261 |
|---|---|
| Cosine metric | 0.9089 |
| Dice metric | 0.9048 |
| MW: | 144.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM267348
Similarity: 0.8172
Similarity to MM267348
| Tanimoto metric | 0.8172 |
|---|---|
| Cosine metric | 0.904 |
| Dice metric | 0.8994 |
| MW: | 142.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+1015 more
