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DocumentationIdentifier: MM43296
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM43296 |
| SMILES |
C#CC(=O)NC(=C)C=O
|
| InChIKey |
DLXDCYJUHDIFDC-UHFFFAOYSA-N
|
| MW [Da] |
123.11
Automatically obtained from RDkit software. |
| LogP |
-0.55
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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MM264888
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| Tanimoto metric | 0.8254 |
|---|---|
| Cosine metric | 0.9085 |
| Dice metric | 0.9043 |
| MW: | 137.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7404 |
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| Cosine metric | 0.8605 |
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| MW: | 109.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.27 |
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| AI: | 0
Total active interactions
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MM80784
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| Tanimoto metric | 0.7273 |
|---|---|
| Cosine metric | 0.8528 |
| Dice metric | 0.8421 |
| MW: | 141.1 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+201 more
