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DocumentationIdentifier: MM317413
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM317413 |
| SMILES |
C=C(CC)CCC(F)C=O
|
| InChIKey |
JWYFDEAYVRWQRM-UHFFFAOYSA-N
|
| MW [Da] |
144.19
Automatically obtained from RDkit software. |
| LogP |
2.27
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM144426
Similarity: 0.8617
Similarity to MM144426
| Tanimoto metric | 0.8617 |
|---|---|
| Cosine metric | 0.9283 |
| Dice metric | 0.9257 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM317421
Similarity: 0.787
Similarity to MM317421
| Tanimoto metric | 0.787 |
|---|---|
| Cosine metric | 0.8811 |
| Dice metric | 0.8808 |
| MW: | 148.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM250942
Similarity: 0.7596
Similarity to MM250942
| Tanimoto metric | 0.7596 |
|---|---|
| Cosine metric | 0.8637 |
| Dice metric | 0.8634 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+433 more
