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DocumentationIdentifier: MM47790
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM47790 |
| SMILES |
CCC(C)=C(F)C(C)=O
|
| InChIKey |
SNTKDAIOJPJTIE-UHFFFAOYSA-N
|
| MW [Da] |
130.16
Automatically obtained from RDkit software. |
| LogP |
2.23
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM301387
Similarity: 0.8088
Similarity to MM301387
| Tanimoto metric | 0.8088 |
|---|---|
| Cosine metric | 0.8993 |
| Dice metric | 0.8943 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM301461
Similarity: 0.8029
Similarity to MM301461
| Tanimoto metric | 0.8029 |
|---|---|
| Cosine metric | 0.8961 |
| Dice metric | 0.8907 |
| MW: | 144.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM354990
Similarity: 0.7914
Similarity to MM354990
| Tanimoto metric | 0.7914 |
|---|---|
| Cosine metric | 0.8896 |
| Dice metric | 0.8835 |
| MW: | 142.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+290 more
