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DocumentationIdentifier: MM317052
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM317052 |
| SMILES |
C=CC(=O)CCC(F)CC
|
| InChIKey |
RUVNCWCSUZPBNZ-UHFFFAOYSA-N
|
| MW [Da] |
144.19
Automatically obtained from RDkit software. |
| LogP |
2.27
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM144728
Similarity: 0.8351
Similarity to MM144728
| Tanimoto metric | 0.8351 |
|---|---|
| Cosine metric | 0.9138 |
| Dice metric | 0.9101 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM250732
Similarity: 0.757
Similarity to MM250732
| Tanimoto metric | 0.757 |
|---|---|
| Cosine metric | 0.8621 |
| Dice metric | 0.8617 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM317056
Similarity: 0.6983
Similarity to MM317056
| Tanimoto metric | 0.6983 |
|---|---|
| Cosine metric | 0.8224 |
| Dice metric | 0.8223 |
| MW: | 148.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+463 more
