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DocumentationIdentifier: MM329341
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM329341 |
| SMILES |
N#CC(CO)NC(=O)CO
|
| InChIKey |
JKQVKBSIQRBXOE-UHFFFAOYSA-N
|
| MW [Da] |
144.13
Automatically obtained from RDkit software. |
| LogP |
-2.02
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM150030
Similarity: 0.8319
Similarity to MM150030
| Tanimoto metric | 0.8319 |
|---|---|
| Cosine metric | 0.9121 |
| Dice metric | 0.9083 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM330267
Similarity: 0.7209
Similarity to MM330267
| Tanimoto metric | 0.7209 |
|---|---|
| Cosine metric | 0.84 |
| Dice metric | 0.8378 |
| MW: | 139.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM142050
Similarity: 0.6723
Similarity to MM142050
| Tanimoto metric | 0.6723 |
|---|---|
| Cosine metric | 0.8199 |
| Dice metric | 0.804 |
| MW: | 133.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+250 more
