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DocumentationIdentifier: MM59195
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM59195 |
| SMILES |
CC(O)(C#CC=O)CC=O
|
| InChIKey |
YGIPTTGATKFVBH-UHFFFAOYSA-N
|
| MW [Da] |
140.14
Automatically obtained from RDkit software. |
| LogP |
-0.47
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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MM132512
Similarity: 0.8545
Similarity to MM132512
| Tanimoto metric | 0.8545 |
|---|---|
| Cosine metric | 0.9244 |
| Dice metric | 0.9216 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 0.35 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7344 |
|---|---|
| Cosine metric | 0.8469 |
| Dice metric | 0.8468 |
| MW: | 142.15 |
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|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
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| LogP: | -0.68 |
||||
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| AI: | 0
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+260 more
