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DocumentationIdentifier: MM62802
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM62802 |
| SMILES |
CNCC=CC(C)NC=O
|
| InChIKey |
RTQWSULVILHFDL-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
-0.1
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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MM157797
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| Tanimoto metric | 0.9211 |
|---|---|
| Cosine metric | 0.9597 |
| Dice metric | 0.9589 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.8736 |
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| MW: | 113.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 0.7 |
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| AI: | 0
Total active interactions
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MM82777
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| Tanimoto metric | 0.7368 |
|---|---|
| Cosine metric | 0.8584 |
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| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+541 more
