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DocumentationIdentifier: MM144344
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM144344 |
| SMILES |
CC(=O)OCC(F)CN
|
| InChIKey |
BWCSPIYGMBLYBN-UHFFFAOYSA-N
|
| MW [Da] |
135.14
Automatically obtained from RDkit software. |
| LogP |
-0.15
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM316748
Similarity: 0.8273
Similarity to MM316748
| Tanimoto metric | 0.8273 |
|---|---|
| Cosine metric | 0.9095 |
| Dice metric | 0.9055 |
| MW: | 149.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM316750
Similarity: 0.7778
Similarity to MM316750
| Tanimoto metric | 0.7778 |
|---|---|
| Cosine metric | 0.8819 |
| Dice metric | 0.875 |
| MW: | 151.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM317334
Similarity: 0.7521
Similarity to MM317334
| Tanimoto metric | 0.7521 |
|---|---|
| Cosine metric | 0.8672 |
| Dice metric | 0.8585 |
| MW: | 145.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+421 more
