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DocumentationIdentifier: MM67814
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM67814 |
| SMILES |
N#CC=C(CF)NC=N
|
| InChIKey |
HCVLKFKGCRYBKU-UHFFFAOYSA-N
|
| MW [Da] |
127.12
Automatically obtained from RDkit software. |
| LogP |
0.56
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM383276
Similarity: 0.7368
Similarity to MM383276
| Tanimoto metric | 0.7368 |
|---|---|
| Cosine metric | 0.8584 |
| Dice metric | 0.8485 |
| MW: | 141.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM85104
Similarity: 0.6837
Similarity to MM85104
| Tanimoto metric | 0.6837 |
|---|---|
| Cosine metric | 0.8268 |
| Dice metric | 0.8121 |
| MW: | 109.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM200318
Similarity: 0.6261
Similarity to MM200318
| Tanimoto metric | 0.6261 |
|---|---|
| Cosine metric | 0.7709 |
| Dice metric | 0.7701 |
| MW: | 130.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+139 more
