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DocumentationIdentifier: MM139909
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM139909 |
| SMILES |
COC(C)(C#N)C(C)F
|
| InChIKey |
VVHYHBZZWSUGFG-UHFFFAOYSA-N
|
| MW [Da] |
131.15
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
MM313574
Similarity: 0.8543
Similarity to MM313574
| Tanimoto metric | 0.8543 |
|---|---|
| Cosine metric | 0.9243 |
| Dice metric | 0.9214 |
| MW: | 142.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM319989
Similarity: 0.7588
Similarity to MM319989
| Tanimoto metric | 0.7588 |
|---|---|
| Cosine metric | 0.8711 |
| Dice metric | 0.8629 |
| MW: | 142.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM229828
Similarity: 0.7457
Similarity to MM229828
| Tanimoto metric | 0.7457 |
|---|---|
| Cosine metric | 0.8635 |
| Dice metric | 0.8543 |
| MW: | 149.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+219 more
