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DocumentationIdentifier: MM329093
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM329093 |
| SMILES |
C#CC(=O)NC(CO)CO
|
| InChIKey |
XBVTWJJBXQSRCD-UHFFFAOYSA-N
|
| MW [Da] |
143.14
Automatically obtained from RDkit software. |
| LogP |
-1.91
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM226929
Similarity: 0.736
Similarity to MM226929
| Tanimoto metric | 0.736 |
|---|---|
| Cosine metric | 0.85 |
| Dice metric | 0.8479 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM149935
Similarity: 0.7327
Similarity to MM149935
| Tanimoto metric | 0.7327 |
|---|---|
| Cosine metric | 0.856 |
| Dice metric | 0.8457 |
| MW: | 133.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM330147
Similarity: 0.7023
Similarity to MM330147
| Tanimoto metric | 0.7023 |
|---|---|
| Cosine metric | 0.8288 |
| Dice metric | 0.8251 |
| MW: | 137.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+243 more
