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DocumentationIdentifier: MM284559
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM284559 |
| SMILES |
C=CC=C(F)C#CC=CC
|
| InChIKey |
YXUUUVJLRPGQEU-UHFFFAOYSA-N
|
| MW [Da] |
136.17
Automatically obtained from RDkit software. |
| LogP |
2.61
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM159403
Similarity: 0.92
Similarity to MM159403
| Tanimoto metric | 0.92 |
|---|---|
| Cosine metric | 0.9592 |
| Dice metric | 0.9583 |
| MW: | 122.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM369634
Similarity: 0.8961
Similarity to MM369634
| Tanimoto metric | 0.8961 |
|---|---|
| Cosine metric | 0.9456 |
| Dice metric | 0.9452 |
| MW: | 136.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM361181
Similarity: 0.8353
Similarity to MM361181
| Tanimoto metric | 0.8353 |
|---|---|
| Cosine metric | 0.9109 |
| Dice metric | 0.9103 |
| MW: | 136.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+299 more
