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DocumentationIdentifier: MM379282
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM379282 |
| SMILES |
COCC(=O)CN(C)C=O
|
| InChIKey |
RLZKXINTULPUCR-UHFFFAOYSA-N
|
| MW [Da] |
145.16
Automatically obtained from RDkit software. |
| LogP |
-0.71
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 | 0.8208 |
|---|---|
| Cosine metric | 0.906 |
| Dice metric | 0.9016 |
| MW: | 131.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM329529
Similarity: 0.685
Similarity to MM329529
| Tanimoto metric | 0.685 |
|---|---|
| Cosine metric | 0.8131 |
| Dice metric | 0.8131 |
| MW: | 145.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.97 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM245722
Similarity: 0.6127
Similarity to MM245722
| Tanimoto metric | 0.6127 |
|---|---|
| Cosine metric | 0.7619 |
| Dice metric | 0.7598 |
| MW: | 145.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.97 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+54 more
