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DocumentationIdentifier: MM251595
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM251595 |
| SMILES |
CC(C)(C=O)CC(=O)O
|
| InChIKey |
OIUKJBJURCIFTN-UHFFFAOYSA-N
|
| MW [Da] |
130.14
Automatically obtained from RDkit software. |
| LogP |
0.69
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 | 0.7475 |
|---|---|
| Cosine metric | 0.8646 |
| Dice metric | 0.8555 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7048 |
|---|---|
| Cosine metric | 0.8395 |
| Dice metric | 0.8268 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 0.57 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM258322
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Similarity to MM258322
| Tanimoto metric | 0.6957 |
|---|---|
| Cosine metric | 0.8216 |
| Dice metric | 0.8205 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+307 more
