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DocumentationIdentifier: MM36227
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM36227 |
| SMILES |
CC(C=O)OCC#N
|
| InChIKey |
VFYSZABMAXVLMN-UHFFFAOYSA-N
|
| MW [Da] |
113.12
Automatically obtained from RDkit software. |
| LogP |
0.11
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM15836
Similarity: 0.871
Similarity to MM15836
| Tanimoto metric | 0.871 |
|---|---|
| Cosine metric | 0.9333 |
| Dice metric | 0.931 |
| MW: | 127.1 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM42801
Similarity: 0.7941
Similarity to MM42801
| Tanimoto metric | 0.7941 |
|---|---|
| Cosine metric | 0.8911 |
| Dice metric | 0.8852 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM41927
Similarity: 0.7714
Similarity to MM41927
| Tanimoto metric | 0.7714 |
|---|---|
| Cosine metric | 0.8783 |
| Dice metric | 0.871 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+345 more
