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DocumentationIdentifier: MM96104
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM96104 |
| SMILES |
COCC=C(CF)NC=N
|
| InChIKey |
HOFPFXZJMPJJIF-UHFFFAOYSA-N
|
| MW [Da] |
146.17
Automatically obtained from RDkit software. |
| LogP |
0.68
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM159564
Similarity: 0.7119
Similarity to MM159564
| Tanimoto metric | 0.7119 |
|---|---|
| Cosine metric | 0.8437 |
| Dice metric | 0.8317 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM284762
Similarity: 0.6462
Similarity to MM284762
| Tanimoto metric | 0.6462 |
|---|---|
| Cosine metric | 0.7892 |
| Dice metric | 0.785 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM383092
Similarity: 0.6405
Similarity to MM383092
| Tanimoto metric | 0.6405 |
|---|---|
| Cosine metric | 0.7823 |
| Dice metric | 0.7809 |
| MW: | 146.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+258 more
