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DocumentationIdentifier: MM58771
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM58771 |
| SMILES |
C#CC(O)C(C)(F)CC#N
|
| InChIKey |
WPCAZBYURQGBCI-UHFFFAOYSA-N
|
| MW [Da] |
141.15
Automatically obtained from RDkit software. |
| LogP |
0.62
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM15336
Similarity: 0.7389
Similarity to MM15336
| Tanimoto metric | 0.7389 |
|---|---|
| Cosine metric | 0.8596 |
| Dice metric | 0.8498 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM319776
Similarity: 0.6905
Similarity to MM319776
| Tanimoto metric | 0.6905 |
|---|---|
| Cosine metric | 0.8215 |
| Dice metric | 0.8169 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM61423
Similarity: 0.6628
Similarity to MM61423
| Tanimoto metric | 0.6628 |
|---|---|
| Cosine metric | 0.8011 |
| Dice metric | 0.7972 |
| MW: | 141.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+79 more
