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DocumentationIdentifier: MM318421
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM318421 |
| SMILES |
C#CC(O)COC(=O)CF
|
| InChIKey |
QWZHHRITMILTCU-UHFFFAOYSA-N
|
| MW [Da] |
146.12
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
MM144692
Similarity: 0.7542
Similarity to MM144692
| Tanimoto metric | 0.7542 |
|---|---|
| Cosine metric | 0.8685 |
| Dice metric | 0.8599 |
| MW: | 136.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM144567
Similarity: 0.7542
Similarity to MM144567
| Tanimoto metric | 0.7542 |
|---|---|
| Cosine metric | 0.8685 |
| Dice metric | 0.8599 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM166817
Similarity: 0.6695
Similarity to MM166817
| Tanimoto metric | 0.6695 |
|---|---|
| Cosine metric | 0.8182 |
| Dice metric | 0.802 |
| MW: | 130.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+144 more
