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DocumentationIdentifier: MM356175
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM356175 |
| SMILES |
CN(C=CC#N)C(=O)CO
|
| InChIKey |
VAIHEGJBAWLQOB-UHFFFAOYSA-N
|
| MW [Da] |
140.14
Automatically obtained from RDkit software. |
| LogP |
-0.53
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM48248
Similarity: 0.7258
Similarity to MM48248
| Tanimoto metric | 0.7258 |
|---|---|
| Cosine metric | 0.8519 |
| Dice metric | 0.8411 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM355865
Similarity: 0.7214
Similarity to MM355865
| Tanimoto metric | 0.7214 |
|---|---|
| Cosine metric | 0.8385 |
| Dice metric | 0.8382 |
| MW: | 145.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM95116
Similarity: 0.7014
Similarity to MM95116
| Tanimoto metric | 0.7014 |
|---|---|
| Cosine metric | 0.8246 |
| Dice metric | 0.8245 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+330 more
