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DocumentationIdentifier: MM47503
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM47503 |
| SMILES |
CC(C)C(=O)C(O)C#N
|
| InChIKey |
MWYDLUOBQMBGGG-UHFFFAOYSA-N
|
| MW [Da] |
127.14
Automatically obtained from RDkit software. |
| LogP |
0.1
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM82663
Similarity: 0.7698
Similarity to MM82663
| Tanimoto metric | 0.7698 |
|---|---|
| Cosine metric | 0.8774 |
| Dice metric | 0.87 |
| MW: | 138.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM35602
Similarity: 0.7423
Similarity to MM35602
| Tanimoto metric | 0.7423 |
|---|---|
| Cosine metric | 0.8615 |
| Dice metric | 0.8521 |
| MW: | 113.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM351155
Similarity: 0.7293
Similarity to MM351155
| Tanimoto metric | 0.7293 |
|---|---|
| Cosine metric | 0.854 |
| Dice metric | 0.8435 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+178 more
