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DocumentationIdentifier: MM26863
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM26863 |
| SMILES |
COC(C)=CC#N
|
| InChIKey |
QPXWIWRNSRBTHA-UHFFFAOYSA-N
|
| MW [Da] |
97.12
Automatically obtained from RDkit software. |
| LogP |
1.06
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM34295
Similarity: 0.7705
Similarity to MM34295
| Tanimoto metric | 0.7705 |
|---|---|
| Cosine metric | 0.8778 |
| Dice metric | 0.8704 |
| MW: | 109.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM107853
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| Tanimoto metric | 0.7705 |
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| Cosine metric | 0.8778 |
| Dice metric | 0.8704 |
| MW: | 111.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM38414
Similarity: 0.7344
Similarity to MM38414
| Tanimoto metric | 0.7344 |
|---|---|
| Cosine metric | 0.857 |
| Dice metric | 0.8468 |
| MW: | 108.1 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+366 more
