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DocumentationIdentifier: MM154289
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM154289 |
| SMILES |
C=C(F)C=CCC=CC
|
| InChIKey |
ALJAPVVNMDDVOS-UHFFFAOYSA-N
|
| MW [Da] |
126.17
Automatically obtained from RDkit software. |
| LogP |
2.99
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM106318
Similarity: 0.9057
Similarity to MM106318
| Tanimoto metric | 0.9057 |
|---|---|
| Cosine metric | 0.9517 |
| Dice metric | 0.9505 |
| MW: | 112.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM170348
Similarity: 0.8
Similarity to MM170348
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8928 |
| Dice metric | 0.8889 |
| MW: | 126.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM214475
Similarity: 0.7736
Similarity to MM214475
| Tanimoto metric | 0.7736 |
|---|---|
| Cosine metric | 0.8795 |
| Dice metric | 0.8723 |
| MW: | 126.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.64 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+474 more
