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DocumentationIdentifier: MM334082
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM334082 |
| SMILES |
C#CC(=O)OC(=CF)CC
|
| InChIKey |
VVHSHQSAOQNVRZ-UHFFFAOYSA-N
|
| MW [Da] |
142.13
Automatically obtained from RDkit software. |
| LogP |
1.38
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM143226
Similarity: 0.7329
Similarity to MM143226
| Tanimoto metric | 0.7329 |
|---|---|
| Cosine metric | 0.8561 |
| Dice metric | 0.8458 |
| MW: | 128.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM142811
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Similarity to MM142811
| Tanimoto metric | 0.7123 |
|---|---|
| Cosine metric | 0.844 |
| Dice metric | 0.832 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM333652
Similarity: 0.6412
Similarity to MM333652
| Tanimoto metric | 0.6412 |
|---|---|
| Cosine metric | 0.7822 |
| Dice metric | 0.7814 |
| MW: | 146.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+51 more
