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DocumentationIdentifier: MM159387
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM159387 |
| SMILES |
C=CC=C(F)C#CCF
|
| InChIKey |
QAVCXDGUQUMADK-UHFFFAOYSA-N
|
| MW [Da] |
128.12
Automatically obtained from RDkit software. |
| LogP |
2
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM108015
Similarity: 0.8378
Similarity to MM108015
| Tanimoto metric | 0.8378 |
|---|---|
| Cosine metric | 0.9153 |
| Dice metric | 0.9118 |
| MW: | 110.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM159403
Similarity: 0.8101
Similarity to MM159403
| Tanimoto metric | 0.8101 |
|---|---|
| Cosine metric | 0.8957 |
| Dice metric | 0.8951 |
| MW: | 122.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM284559
Similarity: 0.7952
Similarity to MM284559
| Tanimoto metric | 0.7952 |
|---|---|
| Cosine metric | 0.8859 |
| Dice metric | 0.8859 |
| MW: | 136.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+630 more
