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DocumentationIdentifier: MM246693
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM246693 |
| SMILES |
C=CC(F)CC(=O)C(=C)C
|
| InChIKey |
KGLAMNJQOYFKBO-UHFFFAOYSA-N
|
| MW [Da] |
142.17
Automatically obtained from RDkit software. |
| LogP |
2.05
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM133978
Similarity: 0.7923
Similarity to MM133978
| Tanimoto metric | 0.7923 |
|---|---|
| Cosine metric | 0.8901 |
| Dice metric | 0.8841 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM246617
Similarity: 0.7466
Similarity to MM246617
| Tanimoto metric | 0.7466 |
|---|---|
| Cosine metric | 0.8551 |
| Dice metric | 0.8549 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM62199
Similarity: 0.7105
Similarity to MM62199
| Tanimoto metric | 0.7105 |
|---|---|
| Cosine metric | 0.8308 |
| Dice metric | 0.8308 |
| MW: | 142.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 2.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+137 more
