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DocumentationIdentifier: MM70532
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM70532 |
| SMILES |
NC=CC(=O)OC=CC=O
|
| InChIKey |
PQISLQCJUVWLJJ-UHFFFAOYSA-N
|
| MW [Da] |
141.13
Automatically obtained from RDkit software. |
| LogP |
-0.29
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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MM157450
Similarity: 0.871
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| Tanimoto metric | 0.871 |
|---|---|
| Cosine metric | 0.9333 |
| Dice metric | 0.931 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM168849
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| Tanimoto metric | 0.7849 |
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| Cosine metric | 0.886 |
| Dice metric | 0.8795 |
| MW: | 126.11 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM280715
Similarity: 0.783
Similarity to MM280715
| Tanimoto metric | 0.783 |
|---|---|
| Cosine metric | 0.8784 |
| Dice metric | 0.8783 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+271 more
