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DocumentationIdentifier: MM323830
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM323830 |
| SMILES |
C=C(C#CC(=C)C=O)C=O
|
| InChIKey |
YNPPTSXQQGELFU-UHFFFAOYSA-N
|
| MW [Da] |
134.13
Automatically obtained from RDkit software. |
| LogP |
0.5
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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MM146195
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| Tanimoto metric | 0.9706 |
|---|---|
| Cosine metric | 0.9852 |
| Dice metric | 0.9851 |
| MW: | 120.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM114606
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| Tanimoto metric | 0.8235 |
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| Cosine metric | 0.9075 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 1.15 |
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Total active interactions
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MM114619
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| Tanimoto metric | 0.7941 |
|---|---|
| Cosine metric | 0.8911 |
| Dice metric | 0.8852 |
| MW: | 106.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+205 more
