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DocumentationIdentifier: MM348549
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM348549 |
| SMILES |
C=COCC(O)C(F)C=O
|
| InChIKey |
KPHDFTUPIKLLTI-UHFFFAOYSA-N
|
| MW [Da] |
148.13
Automatically obtained from RDkit software. |
| LogP |
0.04
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM50006
Similarity: 0.8168
Similarity to MM50006
| Tanimoto metric | 0.8168 |
|---|---|
| Cosine metric | 0.9038 |
| Dice metric | 0.8992 |
| MW: | 136.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM348551
Similarity: 0.7086
Similarity to MM348551
| Tanimoto metric | 0.7086 |
|---|---|
| Cosine metric | 0.8296 |
| Dice metric | 0.8295 |
| MW: | 150.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM35380
Similarity: 0.6107
Similarity to MM35380
| Tanimoto metric | 0.6107 |
|---|---|
| Cosine metric | 0.7815 |
| Dice metric | 0.7583 |
| MW: | 122.1 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -1.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+83 more
