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DocumentationIdentifier: MM262062
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM262062 |
| SMILES |
C=C(CF)CC(C)OC=O
|
| InChIKey |
NQQSXUUMCJNALI-UHFFFAOYSA-N
|
| MW [Da] |
146.16
Automatically obtained from RDkit software. |
| LogP |
1.46
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM166616
Similarity: 0.6583
Similarity to MM166616
| Tanimoto metric | 0.6583 |
|---|---|
| Cosine metric | 0.8114 |
| Dice metric | 0.794 |
| MW: | 132.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM262060
Similarity: 0.6111
Similarity to MM262060
| Tanimoto metric | 0.6111 |
|---|---|
| Cosine metric | 0.7591 |
| Dice metric | 0.7586 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM72651
Similarity: 0.5906
Similarity to MM72651
| Tanimoto metric | 0.5906 |
|---|---|
| Cosine metric | 0.7427 |
| Dice metric | 0.7426 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+82 more
