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DocumentationIdentifier: MM77011
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM77011 |
| SMILES |
C#CC(F)(C#C)C(=O)CO
|
| InChIKey |
KTNFOYSILXOUFP-UHFFFAOYSA-N
|
| MW [Da] |
140.11
Automatically obtained from RDkit software. |
| LogP |
-0.48
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM41736
Similarity: 0.8733
Similarity to MM41736
| Tanimoto metric | 0.8733 |
|---|---|
| Cosine metric | 0.9345 |
| Dice metric | 0.9324 |
| MW: | 130.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM58924
Similarity: 0.7021
Similarity to MM58924
| Tanimoto metric | 0.7021 |
|---|---|
| Cosine metric | 0.8266 |
| Dice metric | 0.825 |
| MW: | 144.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM15290
Similarity: 0.6933
Similarity to MM15290
| Tanimoto metric | 0.6933 |
|---|---|
| Cosine metric | 0.8327 |
| Dice metric | 0.8189 |
| MW: | 124.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+96 more
