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DocumentationIdentifier: MM91768
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM91768 |
| SMILES |
COC(=O)COC=CC#N
|
| InChIKey |
PUWCAHWOCKTWPH-UHFFFAOYSA-N
|
| MW [Da] |
141.13
Automatically obtained from RDkit software. |
| LogP |
0.21
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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MM16176
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| Tanimoto metric | 0.8372 |
|---|---|
| Cosine metric | 0.915 |
| Dice metric | 0.9114 |
| MW: | 127.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM167454
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| Tanimoto metric | 0.8372 |
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| Cosine metric | 0.915 |
| Dice metric | 0.9114 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM369447
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Similarity to MM369447
| Tanimoto metric | 0.7347 |
|---|---|
| Cosine metric | 0.8471 |
| Dice metric | 0.8471 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+177 more
