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DocumentationIdentifier: MM320112
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM320112 |
| SMILES |
C#CC(F)(CO)C(O)C=O
|
| InChIKey |
URNDQQUUYJBPGQ-UHFFFAOYSA-N
|
| MW [Da] |
146.12
Automatically obtained from RDkit software. |
| LogP |
-1.12
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM41604
Similarity: 0.7345
Similarity to MM41604
| Tanimoto metric | 0.7345 |
|---|---|
| Cosine metric | 0.857 |
| Dice metric | 0.8469 |
| MW: | 130.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM306807
Similarity: 0.6701
Similarity to MM306807
| Tanimoto metric | 0.6701 |
|---|---|
| Cosine metric | 0.8059 |
| Dice metric | 0.8025 |
| MW: | 140.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM139490
Similarity: 0.6328
Similarity to MM139490
| Tanimoto metric | 0.6328 |
|---|---|
| Cosine metric | 0.7955 |
| Dice metric | 0.7751 |
| MW: | 130.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+75 more
