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DocumentationIdentifier: MM70655
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM70655 |
| SMILES |
CNCCC(=O)OC=CF
|
| InChIKey |
ZDBGXXUCJLCLBR-UHFFFAOYSA-N
|
| MW [Da] |
147.15
Automatically obtained from RDkit software. |
| LogP |
0.58
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM70329
Similarity: 0.8077
Similarity to MM70329
| Tanimoto metric | 0.8077 |
|---|---|
| Cosine metric | 0.8987 |
| Dice metric | 0.8936 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM251015
Similarity: 0.7304
Similarity to MM251015
| Tanimoto metric | 0.7304 |
|---|---|
| Cosine metric | 0.8451 |
| Dice metric | 0.8442 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM253266
Similarity: 0.725
Similarity to MM253266
| Tanimoto metric | 0.725 |
|---|---|
| Cosine metric | 0.8406 |
| Dice metric | 0.8406 |
| MW: | 151.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+245 more
