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DocumentationIdentifier: MM390348
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM390348 |
| SMILES |
N#CC(C(=N)N)C(F)=CF
|
| InChIKey |
KWULYJQDUTYFCL-UHFFFAOYSA-N
|
| MW [Da] |
145.11
Automatically obtained from RDkit software. |
| LogP |
0.84
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM47521
Similarity: 0.7514
Similarity to MM47521
| Tanimoto metric | 0.7514 |
|---|---|
| Cosine metric | 0.8668 |
| Dice metric | 0.8581 |
| MW: | 127.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM161392
Similarity: 0.6836
Similarity to MM161392
| Tanimoto metric | 0.6836 |
|---|---|
| Cosine metric | 0.8268 |
| Dice metric | 0.8121 |
| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM390346
Similarity: 0.6256
Similarity to MM390346
| Tanimoto metric | 0.6256 |
|---|---|
| Cosine metric | 0.7697 |
| Dice metric | 0.7697 |
| MW: | 141.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+38 more
