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DocumentationIdentifier: MM245415
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM245415 |
| SMILES |
CC(=O)C(C)OC(C)C#N
|
| InChIKey |
NGSYHYCHSYZIKT-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
0.89
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM47899
Similarity: 0.8224
Similarity to MM47899
| Tanimoto metric | 0.8224 |
|---|---|
| Cosine metric | 0.9069 |
| Dice metric | 0.9026 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM327102
Similarity: 0.7895
Similarity to MM327102
| Tanimoto metric | 0.7895 |
|---|---|
| Cosine metric | 0.8834 |
| Dice metric | 0.8824 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM133652
Similarity: 0.729
Similarity to MM133652
| Tanimoto metric | 0.729 |
|---|---|
| Cosine metric | 0.8538 |
| Dice metric | 0.8432 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+168 more
