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DocumentationIdentifier: MM266937
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM266937 |
| SMILES |
CC(O)CNC(C)(C)C#N
|
| InChIKey |
KDMCNHQKOAYRDX-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
0.26
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM266876
Similarity: 0.8
Similarity to MM266876
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM47341
Similarity: 0.7474
Similarity to MM47341
| Tanimoto metric | 0.7474 |
|---|---|
| Cosine metric | 0.8645 |
| Dice metric | 0.8554 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM44698
Similarity: 0.6964
Similarity to MM44698
| Tanimoto metric | 0.6964 |
|---|---|
| Cosine metric | 0.8211 |
| Dice metric | 0.8211 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+396 more
