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DocumentationIdentifier: MM253266
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM253266 |
| SMILES |
NCCC(=O)OC=C(F)F
|
| InChIKey |
HSRSYBSWTJHCHU-UHFFFAOYSA-N
|
| MW [Da] |
151.11
Automatically obtained from RDkit software. |
| LogP |
0.62
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM146435
Similarity: 0.7961
Similarity to MM146435
| Tanimoto metric | 0.7961 |
|---|---|
| Cosine metric | 0.8923 |
| Dice metric | 0.8865 |
| MW: | 136.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM70655
Similarity: 0.725
Similarity to MM70655
| Tanimoto metric | 0.725 |
|---|---|
| Cosine metric | 0.8406 |
| Dice metric | 0.8406 |
| MW: | 147.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM253267
Similarity: 0.6949
Similarity to MM253267
| Tanimoto metric | 0.6949 |
|---|---|
| Cosine metric | 0.8204 |
| Dice metric | 0.82 |
| MW: | 152.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+230 more
