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DocumentationIdentifier: MM356796
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM356796 |
| SMILES |
N=CNCC(=O)OC=CF
|
| InChIKey |
NJJLWMKFBDTDCW-UHFFFAOYSA-N
|
| MW [Da] |
146.12
Automatically obtained from RDkit software. |
| LogP |
0.17
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM62857
Similarity: 0.7131
Similarity to MM62857
| Tanimoto metric | 0.7131 |
|---|---|
| Cosine metric | 0.8328 |
| Dice metric | 0.8325 |
| MW: | 142.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM356800
Similarity: 0.7016
Similarity to MM356800
| Tanimoto metric | 0.7016 |
|---|---|
| Cosine metric | 0.8247 |
| Dice metric | 0.8246 |
| MW: | 147.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM262903
Similarity: 0.6567
Similarity to MM262903
| Tanimoto metric | 0.6567 |
|---|---|
| Cosine metric | 0.7933 |
| Dice metric | 0.7928 |
| MW: | 142.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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