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DocumentationIdentifier: MM34468
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM34468 |
| SMILES |
CC(=O)C(C)NC=O
|
| InChIKey |
WPFCCBBLIZWNJA-UHFFFAOYSA-N
|
| MW [Da] |
115.13
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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MM52254
Similarity: 0.7692
Similarity to MM52254
| Tanimoto metric | 0.7692 |
|---|---|
| Cosine metric | 0.8771 |
| Dice metric | 0.8696 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM172556
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| Tanimoto metric | 0.7368 |
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| Cosine metric | 0.8584 |
| Dice metric | 0.8485 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.1 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM40527
Similarity: 0.7143
Similarity to MM40527
| Tanimoto metric | 0.7143 |
|---|---|
| Cosine metric | 0.8452 |
| Dice metric | 0.8333 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+114 more
