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DocumentationIdentifier: MM317425
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM317425 |
| SMILES |
CCC(=O)CCC(F)C#N
|
| InChIKey |
PEXRDHNNLDHFTK-UHFFFAOYSA-N
|
| MW [Da] |
143.16
Automatically obtained from RDkit software. |
| LogP |
1.61
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM317429
Similarity: 0.7798
Similarity to MM317429
| Tanimoto metric | 0.7798 |
|---|---|
| Cosine metric | 0.8765 |
| Dice metric | 0.8763 |
| MW: | 147.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM144598
Similarity: 0.6947
Similarity to MM144598
| Tanimoto metric | 0.6947 |
|---|---|
| Cosine metric | 0.8335 |
| Dice metric | 0.8199 |
| MW: | 132.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM317988
Similarity: 0.6532
Similarity to MM317988
| Tanimoto metric | 0.6532 |
|---|---|
| Cosine metric | 0.7924 |
| Dice metric | 0.7902 |
| MW: | 141.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+176 more
