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DocumentationIdentifier: MM400538
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM400538 |
| SMILES |
CCC(C=O)C(CO)CF
|
| InChIKey |
PDXVUPIXNDNSRX-UHFFFAOYSA-N
|
| MW [Da] |
148.18
Automatically obtained from RDkit software. |
| LogP |
0.79
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM94113
Similarity: 0.7542
Similarity to MM94113
| Tanimoto metric | 0.7542 |
|---|---|
| Cosine metric | 0.8616 |
| Dice metric | 0.8599 |
| MW: | 148.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM196860
Similarity: 0.7273
Similarity to MM196860
| Tanimoto metric | 0.7273 |
|---|---|
| Cosine metric | 0.8528 |
| Dice metric | 0.8421 |
| MW: | 134.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM406541
Similarity: 0.6587
Similarity to MM406541
| Tanimoto metric | 0.6587 |
|---|---|
| Cosine metric | 0.7954 |
| Dice metric | 0.7943 |
| MW: | 148.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+254 more
