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DocumentationIdentifier: MM358851
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM358851 |
| SMILES |
CCC(F)C(=O)C#CC=O
|
| InChIKey |
JAXGVTGSGYLUPY-UHFFFAOYSA-N
|
| MW [Da] |
142.13
Automatically obtained from RDkit software. |
| LogP |
0.51
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM358756
Similarity: 0.7984
Similarity to MM358756
| Tanimoto metric | 0.7984 |
|---|---|
| Cosine metric | 0.8882 |
| Dice metric | 0.8879 |
| MW: | 142.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM48364
Similarity: 0.7647
Similarity to MM48364
| Tanimoto metric | 0.7647 |
|---|---|
| Cosine metric | 0.8745 |
| Dice metric | 0.8667 |
| MW: | 128.1 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM358918
Similarity: 0.7214
Similarity to MM358918
| Tanimoto metric | 0.7214 |
|---|---|
| Cosine metric | 0.8382 |
| Dice metric | 0.8382 |
| MW: | 138.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+106 more
