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DocumentationIdentifier: MM97446
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM97446 |
| SMILES |
CC(=O)OCC#N
|
| InChIKey |
AJEHNBIPLQJTNU-UHFFFAOYSA-N
|
| MW [Da] |
99.09
Automatically obtained from RDkit software. |
| LogP |
0.07
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM113257
Similarity: 0.7069
Similarity to MM113257
| Tanimoto metric | 0.7069 |
|---|---|
| Cosine metric | 0.8408 |
| Dice metric | 0.8283 |
| MW: | 115.09 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM96572
Similarity: 0.6829
Similarity to MM96572
| Tanimoto metric | 0.6829 |
|---|---|
| Cosine metric | 0.8264 |
| Dice metric | 0.8116 |
| MW: | 88.11 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM25158
Similarity: 0.6829
Similarity to MM25158
| Tanimoto metric | 0.6829 |
|---|---|
| Cosine metric | 0.8264 |
| Dice metric | 0.8116 |
| MW: | 85.06 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+152 more
