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DocumentationIdentifier: MM243160
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM243160 |
| SMILES |
COCC(F)(C#N)CC#N
|
| InChIKey |
SZXRLXYKUQDBON-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
MM42260
Similarity: 0.7465
Similarity to MM42260
| Tanimoto metric | 0.7465 |
|---|---|
| Cosine metric | 0.864 |
| Dice metric | 0.8548 |
| MW: | 128.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM76640
Similarity: 0.6092
Similarity to MM76640
| Tanimoto metric | 0.6092 |
|---|---|
| Cosine metric | 0.7572 |
| Dice metric | 0.7571 |
| MW: | 142.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM61752
Similarity: 0.5381
Similarity to MM61752
| Tanimoto metric | 0.5381 |
|---|---|
| Cosine metric | 0.701 |
| Dice metric | 0.6997 |
| MW: | 142.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+72 more
