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DocumentationIdentifier: MM253585
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM253585 |
| SMILES |
C=CCC(F)=CNC(C)=O
|
| InChIKey |
JEUQSSMIRQJHHK-UHFFFAOYSA-N
|
| MW [Da] |
143.16
Automatically obtained from RDkit software. |
| LogP |
1.51
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM146644
Similarity: 0.8522
Similarity to MM146644
| Tanimoto metric | 0.8522 |
|---|---|
| Cosine metric | 0.9231 |
| Dice metric | 0.9202 |
| MW: | 131.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM253534
Similarity: 0.7634
Similarity to MM253534
| Tanimoto metric | 0.7634 |
|---|---|
| Cosine metric | 0.8658 |
| Dice metric | 0.8658 |
| MW: | 149.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM253586
Similarity: 0.7313
Similarity to MM253586
| Tanimoto metric | 0.7313 |
|---|---|
| Cosine metric | 0.8449 |
| Dice metric | 0.8448 |
| MW: | 145.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+445 more
