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DocumentationIdentifier: MM313574
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM313574 |
| SMILES |
COC(C#N)(C#N)C(C)F
|
| InChIKey |
PLLIIRBOIXXRHE-UHFFFAOYSA-N
|
| MW [Da] |
142.13
Automatically obtained from RDkit software. |
| LogP |
0.78
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM139909
Similarity: 0.8543
Similarity to MM139909
| Tanimoto metric | 0.8543 |
|---|---|
| Cosine metric | 0.9243 |
| Dice metric | 0.9214 |
| MW: | 131.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM42590
Similarity: 0.6954
Similarity to MM42590
| Tanimoto metric | 0.6954 |
|---|---|
| Cosine metric | 0.8339 |
| Dice metric | 0.8203 |
| MW: | 128.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM229828
Similarity: 0.6615
Similarity to MM229828
| Tanimoto metric | 0.6615 |
|---|---|
| Cosine metric | 0.7981 |
| Dice metric | 0.7963 |
| MW: | 149.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+80 more
