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DocumentationIdentifier: MM53273
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM53273 |
| SMILES |
C#CC(F)C(C=O)OC
|
| InChIKey |
RQTTZSWHCJKEQY-UHFFFAOYSA-N
|
| MW [Da] |
130.12
Automatically obtained from RDkit software. |
| LogP |
0.17
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM376963
Similarity: 0.8288
Similarity to MM376963
| Tanimoto metric | 0.8288 |
|---|---|
| Cosine metric | 0.9104 |
| Dice metric | 0.9064 |
| MW: | 144.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM377009
Similarity: 0.7908
Similarity to MM377009
| Tanimoto metric | 0.7908 |
|---|---|
| Cosine metric | 0.8893 |
| Dice metric | 0.8832 |
| MW: | 142.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM35464
Similarity: 0.6942
Similarity to MM35464
| Tanimoto metric | 0.6942 |
|---|---|
| Cosine metric | 0.8332 |
| Dice metric | 0.8195 |
| MW: | 116.09 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+302 more
