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DocumentationIdentifier: MM266838
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM266838 |
| SMILES |
CC(O)CNCC#N
|
| InChIKey |
KDOZWGHMLAEXIV-UHFFFAOYSA-N
|
| MW [Da] |
114.15
Automatically obtained from RDkit software. |
| LogP |
-0.52
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM145651
Similarity: 0.7606
Similarity to MM145651
| Tanimoto metric | 0.7606 |
|---|---|
| Cosine metric | 0.8721 |
| Dice metric | 0.864 |
| MW: | 125.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM46091
Similarity: 0.75
Similarity to MM46091
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM466815
Similarity: 0.75
Similarity to MM466815
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 130.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -1.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+475 more
