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DocumentationIdentifier: MM26579
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM26579 |
| SMILES |
C#CC(=O)CC=C
|
| InChIKey |
NPVFYGOKUGGJDH-UHFFFAOYSA-N
|
| MW [Da] |
94.11
Automatically obtained from RDkit software. |
| LogP |
0.76
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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MM36748
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| Tanimoto metric | 0.7759 |
|---|---|
| Cosine metric | 0.8808 |
| Dice metric | 0.8738 |
| MW: | 108.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.15 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM15770
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| Tanimoto metric | 0.7143 |
|---|---|
| Cosine metric | 0.8452 |
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| MW: | 112.1 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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