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DocumentationIdentifier: MM295063
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM295063 |
| SMILES |
C=C(C=CF)C(=O)CCC
|
| InChIKey |
CCKVEYOFGGPJTK-UHFFFAOYSA-N
|
| MW [Da] |
142.17
Automatically obtained from RDkit software. |
| LogP |
2.4
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM174484
Similarity: 0.8362
Similarity to MM174484
| Tanimoto metric | 0.8362 |
|---|---|
| Cosine metric | 0.9144 |
| Dice metric | 0.9108 |
| MW: | 128.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM295116
Similarity: 0.7348
Similarity to MM295116
| Tanimoto metric | 0.7348 |
|---|---|
| Cosine metric | 0.8472 |
| Dice metric | 0.8472 |
| MW: | 140.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM173804
Similarity: 0.7241
Similarity to MM173804
| Tanimoto metric | 0.7241 |
|---|---|
| Cosine metric | 0.851 |
| Dice metric | 0.84 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+234 more
