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DocumentationIdentifier: MM142050
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM142050 |
| SMILES |
CC(CO)NC(=O)CO
|
| InChIKey |
KFBBVAWNPOAIMH-UHFFFAOYSA-N
|
| MW [Da] |
133.15
Automatically obtained from RDkit software. |
| LogP |
-1.52
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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MM328677
Similarity: 0.8889
Similarity to MM328677
| Tanimoto metric | 0.8889 |
|---|---|
| Cosine metric | 0.9428 |
| Dice metric | 0.9412 |
| MW: | 149.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -2.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM226785
Similarity: 0.7692
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| Tanimoto metric | 0.7692 |
|---|---|
| Cosine metric | 0.8771 |
| Dice metric | 0.8696 |
| MW: | 147.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM33010
Similarity: 0.7625
Similarity to MM33010
| Tanimoto metric | 0.7625 |
|---|---|
| Cosine metric | 0.8732 |
| Dice metric | 0.8652 |
| MW: | 117.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+422 more
