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DocumentationIdentifier: MM84461
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM84461 |
| SMILES |
COC(C)C(O)CCC#N
|
| InChIKey |
SJYGENBLBUSOSO-UHFFFAOYSA-N
|
| MW [Da] |
143.19
Automatically obtained from RDkit software. |
| LogP |
0.69
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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| Tanimoto metric | 0.6765 |
|---|---|
| Cosine metric | 0.8225 |
| Dice metric | 0.807 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.8009 |
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| MW: | 148.2 |
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 0.15 |
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| Tanimoto metric | 0.6275 |
|---|---|
| Cosine metric | 0.7921 |
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| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 1.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+376 more
