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DocumentationIdentifier: MM284958
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM284958 |
| SMILES |
CC(=COC=CF)CC#N
|
| InChIKey |
SOWQMNXUNQFQCK-UHFFFAOYSA-N
|
| MW [Da] |
141.15
Automatically obtained from RDkit software. |
| LogP |
2.26
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM284957
Similarity: 0.7667
Similarity to MM284957
| Tanimoto metric | 0.7667 |
|---|---|
| Cosine metric | 0.8693 |
| Dice metric | 0.8679 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM171324
Similarity: 0.7381
Similarity to MM171324
| Tanimoto metric | 0.7381 |
|---|---|
| Cosine metric | 0.8591 |
| Dice metric | 0.8493 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM404559
Similarity: 0.6923
Similarity to MM404559
| Tanimoto metric | 0.6923 |
|---|---|
| Cosine metric | 0.8216 |
| Dice metric | 0.8182 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+299 more
