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DocumentationIdentifier: MM294907
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM294907 |
| SMILES |
CC(C)C(F)=CCNC=O
|
| InChIKey |
XYKJLFAYKULLMR-UHFFFAOYSA-N
|
| MW [Da] |
145.18
Automatically obtained from RDkit software. |
| LogP |
1.24
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM163785
Similarity: 0.8182
Similarity to MM163785
| Tanimoto metric | 0.8182 |
|---|---|
| Cosine metric | 0.9045 |
| Dice metric | 0.9 |
| MW: | 131.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM171063
Similarity: 0.8182
Similarity to MM171063
| Tanimoto metric | 0.8182 |
|---|---|
| Cosine metric | 0.9045 |
| Dice metric | 0.9 |
| MW: | 131.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM294783
Similarity: 0.7364
Similarity to MM294783
| Tanimoto metric | 0.7364 |
|---|---|
| Cosine metric | 0.8487 |
| Dice metric | 0.8482 |
| MW: | 145.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+298 more
