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DocumentationIdentifier: MM106297
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM106297 |
| SMILES |
CN(C)CC(=O)C(O)C#N
|
| InChIKey |
POKOBYAHJSOMMY-UHFFFAOYSA-N
|
| MW [Da] |
142.16
Automatically obtained from RDkit software. |
| LogP |
-1
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM351127
Similarity: 0.7039
Similarity to MM351127
| Tanimoto metric | 0.7039 |
|---|---|
| Cosine metric | 0.8263 |
| Dice metric | 0.8263 |
| MW: | 142.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM28465
Similarity: 0.6172
Similarity to MM28465
| Tanimoto metric | 0.6172 |
|---|---|
| Cosine metric | 0.7856 |
| Dice metric | 0.7633 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM28425
Similarity: 0.4938
Similarity to MM28425
| Tanimoto metric | 0.4938 |
|---|---|
| Cosine metric | 0.6628 |
| Dice metric | 0.6611 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+68 more
