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DocumentationIdentifier: MM16215
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM16215 |
| SMILES |
CC(=CC(=O)O)OCC#N
|
| InChIKey |
LXSBIUQTLAXPFR-UHFFFAOYSA-N
|
| MW [Da] |
141.13
Automatically obtained from RDkit software. |
| LogP |
0.51
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM252451
Similarity: 0.8142
Similarity to MM252451
| Tanimoto metric | 0.8142 |
|---|---|
| Cosine metric | 0.9023 |
| Dice metric | 0.8976 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM286782
Similarity: 0.7381
Similarity to MM286782
| Tanimoto metric | 0.7381 |
|---|---|
| Cosine metric | 0.8497 |
| Dice metric | 0.8493 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM267678
Similarity: 0.694
Similarity to MM267678
| Tanimoto metric | 0.694 |
|---|---|
| Cosine metric | 0.8194 |
| Dice metric | 0.8194 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+169 more
