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DocumentationIdentifier: MM168978
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM168978 |
| SMILES |
C=CC=CCC(F)=CC
|
| InChIKey |
AZYQZZQSKUJPQB-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
MM375463
Similarity: 0.9538
Similarity to MM375463
| Tanimoto metric | 0.9538 |
|---|---|
| Cosine metric | 0.9767 |
| Dice metric | 0.9764 |
| MW: | 140.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM159097
Similarity: 0.8529
Similarity to MM159097
| Tanimoto metric | 0.8529 |
|---|---|
| Cosine metric | 0.9208 |
| Dice metric | 0.9206 |
| MW: | 126.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM113916
Similarity: 0.8065
Similarity to MM113916
| Tanimoto metric | 0.8065 |
|---|---|
| Cosine metric | 0.898 |
| Dice metric | 0.8929 |
| MW: | 114.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+506 more
