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DocumentationIdentifier: MM412685
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM412685 |
| SMILES |
C=CN(CC)C(=O)C=CF
|
| InChIKey |
VNPGGKYOVUEYLM-UHFFFAOYSA-N
|
| MW [Da] |
143.16
Automatically obtained from RDkit software. |
| LogP |
1.46
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM174440
Similarity: 0.7364
Similarity to MM174440
| Tanimoto metric | 0.7364 |
|---|---|
| Cosine metric | 0.8582 |
| Dice metric | 0.8482 |
| MW: | 129.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM174386
Similarity: 0.7132
Similarity to MM174386
| Tanimoto metric | 0.7132 |
|---|---|
| Cosine metric | 0.8445 |
| Dice metric | 0.8326 |
| MW: | 131.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM412965
Similarity: 0.6786
Similarity to MM412965
| Tanimoto metric | 0.6786 |
|---|---|
| Cosine metric | 0.8124 |
| Dice metric | 0.8085 |
| MW: | 141.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+268 more
