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DocumentationIdentifier: MM355099
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM355099 |
| SMILES |
NC(CF)C(O)C=CCF
|
| InChIKey |
BWMYSQPRYNITTQ-UHFFFAOYSA-N
|
| MW [Da] |
151.16
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
MM173959
Similarity: 0.872
Similarity to MM173959
| Tanimoto metric | 0.872 |
|---|---|
| Cosine metric | 0.9338 |
| Dice metric | 0.9316 |
| MW: | 133.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM37138
Similarity: 0.773
Similarity to MM37138
| Tanimoto metric | 0.773 |
|---|---|
| Cosine metric | 0.872 |
| Dice metric | 0.872 |
| MW: | 147.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM163123
Similarity: 0.76
Similarity to MM163123
| Tanimoto metric | 0.76 |
|---|---|
| Cosine metric | 0.8718 |
| Dice metric | 0.8636 |
| MW: | 133.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+435 more
