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DocumentationIdentifier: MM116174
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM116174 |
| SMILES |
C=CN(C=O)CCN
|
| InChIKey |
HWPKSNZSVPOYDP-UHFFFAOYSA-N
|
| MW [Da] |
114.15
Automatically obtained from RDkit software. |
| LogP |
-0.45
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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MM199207
Similarity: 0.8333
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| Tanimoto metric | 0.8333 |
|---|---|
| Cosine metric | 0.9129 |
| Dice metric | 0.9091 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.8771 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.15 |
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| AI: | 0
Total active interactions
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MM27524
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| Tanimoto metric | 0.7333 |
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| Cosine metric | 0.8563 |
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|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+238 more
