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DocumentationIdentifier: MM261439
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM261439 |
| SMILES |
CCC(C)OC(C)CC#N
|
| InChIKey |
ORSFQYGYYKDHJX-UHFFFAOYSA-N
|
| MW [Da] |
141.21
Automatically obtained from RDkit software. |
| LogP |
2.1
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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MM155903
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Similarity to MM155903
| Tanimoto metric | 0.9118 |
|---|---|
| Cosine metric | 0.9549 |
| Dice metric | 0.9538 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.8235 |
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| Cosine metric | 0.9075 |
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||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.72 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM69357
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Similarity to MM69357
| Tanimoto metric | 0.7949 |
|---|---|
| Cosine metric | 0.8861 |
| Dice metric | 0.8857 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+725 more
