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DocumentationIdentifier: MM274053
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM274053 |
| SMILES |
N#CC(C=C(F)F)NC=N
|
| InChIKey |
GFYCTUWTZBUQFW-UHFFFAOYSA-N
|
| MW [Da] |
145.11
Automatically obtained from RDkit software. |
| LogP |
0.86
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM59651
Similarity: 0.8087
Similarity to MM59651
| Tanimoto metric | 0.8087 |
|---|---|
| Cosine metric | 0.8993 |
| Dice metric | 0.8942 |
| MW: | 127.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM136188
Similarity: 0.6957
Similarity to MM136188
| Tanimoto metric | 0.6957 |
|---|---|
| Cosine metric | 0.8341 |
| Dice metric | 0.8205 |
| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM59679
Similarity: 0.6065
Similarity to MM59679
| Tanimoto metric | 0.6065 |
|---|---|
| Cosine metric | 0.7572 |
| Dice metric | 0.755 |
| MW: | 141.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+40 more
