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DocumentationIdentifier: MM241885
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM241885 |
| SMILES |
CC(O)(CO)C(O)CC=O
|
| InChIKey |
JBYBIVQDDZZNKP-UHFFFAOYSA-N
|
| MW [Da] |
148.16
Automatically obtained from RDkit software. |
| LogP |
-1.32
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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| Tanimoto metric | 0.72 |
|---|---|
| Cosine metric | 0.8485 |
| Dice metric | 0.8372 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.704 |
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| Cosine metric | 0.839 |
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| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.29 |
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|---|---|---|---|---|---|
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Total active interactions
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MM307963
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Similarity to MM307963
| Tanimoto metric | 0.6641 |
|---|---|
| Cosine metric | 0.8069 |
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| MW: | 148.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+190 more
