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DocumentationIdentifier: MM356569
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM356569 |
| SMILES |
CC=CNC(=O)COCC
|
| InChIKey |
JCPITZCVAPKURG-UHFFFAOYSA-N
|
| MW [Da] |
143.19
Automatically obtained from RDkit software. |
| LogP |
0.67
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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MM45991
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Similarity to MM45991
| Tanimoto metric | 0.83 |
|---|---|
| Cosine metric | 0.911 |
| Dice metric | 0.9071 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM70159
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| Tanimoto metric | 0.7611 |
|---|---|
| Cosine metric | 0.8643 |
| Dice metric | 0.8643 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM280074
Similarity: 0.7544
Similarity to MM280074
| Tanimoto metric | 0.7544 |
|---|---|
| Cosine metric | 0.86 |
| Dice metric | 0.86 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+507 more
