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DocumentationIdentifier: MM305328
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM305328 |
| SMILES |
C=C(C)C(CCF)OC=O
|
| InChIKey |
USRUSKIPJLYIDX-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
MM172573
Similarity: 0.6364
Similarity to MM172573
| Tanimoto metric | 0.6364 |
|---|---|
| Cosine metric | 0.7812 |
| Dice metric | 0.7778 |
| MW: | 132.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM305462
Similarity: 0.5912
Similarity to MM305462
| Tanimoto metric | 0.5912 |
|---|---|
| Cosine metric | 0.7431 |
| Dice metric | 0.7431 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM83762
Similarity: 0.5839
Similarity to MM83762
| Tanimoto metric | 0.5839 |
|---|---|
| Cosine metric | 0.7373 |
| Dice metric | 0.7373 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+37 more
