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DocumentationIdentifier: MM02671
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM02671 |
| SMILES |
COCC(=O)C(F)CC#N
|
| InChIKey |
LWZBDNOSDULVDX-UHFFFAOYSA-N
|
| MW [Da] |
145.13
Automatically obtained from RDkit software. |
| LogP |
0.45
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM172526
Similarity: 0.782
Similarity to MM172526
| Tanimoto metric | 0.782 |
|---|---|
| Cosine metric | 0.8843 |
| Dice metric | 0.8776 |
| MW: | 131.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM293693
Similarity: 0.628
Similarity to MM293693
| Tanimoto metric | 0.628 |
|---|---|
| Cosine metric | 0.7715 |
| Dice metric | 0.7715 |
| MW: | 144.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM348836
Similarity: 0.5974
Similarity to MM348836
| Tanimoto metric | 0.5974 |
|---|---|
| Cosine metric | 0.7505 |
| Dice metric | 0.748 |
| MW: | 150.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+68 more
