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DocumentationIdentifier: MM324451
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM324451 |
| SMILES |
CNC(C)CC=C(F)C#N
|
| InChIKey |
JHMYVQWRTABRAW-UHFFFAOYSA-N
|
| MW [Da] |
142.18
Automatically obtained from RDkit software. |
| LogP |
1.36
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM146300
Similarity: 0.7478
Similarity to MM146300
| Tanimoto metric | 0.7478 |
|---|---|
| Cosine metric | 0.8648 |
| Dice metric | 0.8557 |
| MW: | 131.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM324315
Similarity: 0.6466
Similarity to MM324315
| Tanimoto metric | 0.6466 |
|---|---|
| Cosine metric | 0.7864 |
| Dice metric | 0.7854 |
| MW: | 145.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM345765
Similarity: 0.6324
Similarity to MM345765
| Tanimoto metric | 0.6324 |
|---|---|
| Cosine metric | 0.7753 |
| Dice metric | 0.7748 |
| MW: | 145.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+207 more
