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DocumentationIdentifier: MM253322
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM253322 |
| SMILES |
CC(F)=COC(=O)CC#N
|
| InChIKey |
BUIQEFRDDRSBQR-UHFFFAOYSA-N
|
| MW [Da] |
143.12
Automatically obtained from RDkit software. |
| LogP |
1.27
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM156997
Similarity: 0.7273
Similarity to MM156997
| Tanimoto metric | 0.7273 |
|---|---|
| Cosine metric | 0.8528 |
| Dice metric | 0.8421 |
| MW: | 129.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM156995
Similarity: 0.7107
Similarity to MM156995
| Tanimoto metric | 0.7107 |
|---|---|
| Cosine metric | 0.8431 |
| Dice metric | 0.8309 |
| MW: | 125.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM253320
Similarity: 0.6978
Similarity to MM253320
| Tanimoto metric | 0.6978 |
|---|---|
| Cosine metric | 0.8223 |
| Dice metric | 0.822 |
| MW: | 144.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+262 more
