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DocumentationIdentifier: MM294913
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM294913 |
| SMILES |
CC(=CCOC=O)C(C)F
|
| InChIKey |
NEJSCXSIGNKVPB-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
MM437079
Similarity: 0.7807
Similarity to MM437079
| Tanimoto metric | 0.7807 |
|---|---|
| Cosine metric | 0.8781 |
| Dice metric | 0.8768 |
| MW: | 146.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM108788
Similarity: 0.6542
Similarity to MM108788
| Tanimoto metric | 0.6542 |
|---|---|
| Cosine metric | 0.8088 |
| Dice metric | 0.791 |
| MW: | 118.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM171074
Similarity: 0.6542
Similarity to MM171074
| Tanimoto metric | 0.6542 |
|---|---|
| Cosine metric | 0.8088 |
| Dice metric | 0.791 |
| MW: | 132.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+354 more
