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DocumentationIdentifier: MM88385
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM88385 |
| SMILES |
COCC(=CF)OCC#N
|
| InChIKey |
WZTKLTCLKPMDPL-UHFFFAOYSA-N
|
| MW [Da] |
145.13
Automatically obtained from RDkit software. |
| LogP |
0.98
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM54736
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Similarity to MM54736
| Tanimoto metric | 0.8208 |
|---|---|
| Cosine metric | 0.906 |
| Dice metric | 0.9016 |
| MW: | 131.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM389766
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| Tanimoto metric | 0.7083 |
|---|---|
| Cosine metric | 0.8298 |
| Dice metric | 0.8293 |
| MW: | 150.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM412396
Similarity: 0.7059
Similarity to MM412396
| Tanimoto metric | 0.7059 |
|---|---|
| Cosine metric | 0.8284 |
| Dice metric | 0.8276 |
| MW: | 145.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+338 more
