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DocumentationIdentifier: MM162516
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM162516 |
| SMILES |
CC(O)C(=O)NCC=O
|
| InChIKey |
JTWJEECDXHCCBF-UHFFFAOYSA-N
|
| MW [Da] |
131.13
Automatically obtained from RDkit software. |
| LogP |
-1.32
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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MM351164
Similarity: 0.8291
Similarity to MM351164
| Tanimoto metric | 0.8291 |
|---|---|
| Cosine metric | 0.9105 |
| Dice metric | 0.9065 |
| MW: | 145.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -2.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM108358
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| Tanimoto metric | 0.8041 |
|---|---|
| Cosine metric | 0.8967 |
| Dice metric | 0.8914 |
| MW: | 117.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM231408
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Similarity to MM231408
| Tanimoto metric | 0.776 |
|---|---|
| Cosine metric | 0.8809 |
| Dice metric | 0.8739 |
| MW: | 145.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+442 more
