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DocumentationIdentifier: MM116201
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM116201 |
| SMILES |
C=CC(C#N)OC=O
|
| InChIKey |
UMFMHWCXQBESPJ-UHFFFAOYSA-N
|
| MW [Da] |
111.1
Automatically obtained from RDkit software. |
| LogP |
0.24
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM178271
Similarity: 0.7234
Similarity to MM178271
| Tanimoto metric | 0.7234 |
|---|---|
| Cosine metric | 0.8505 |
| Dice metric | 0.8395 |
| MW: | 129.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM139571
Similarity: 0.701
Similarity to MM139571
| Tanimoto metric | 0.701 |
|---|---|
| Cosine metric | 0.8373 |
| Dice metric | 0.8242 |
| MW: | 125.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM89088
Similarity: 0.6355
Similarity to MM89088
| Tanimoto metric | 0.6355 |
|---|---|
| Cosine metric | 0.7972 |
| Dice metric | 0.7771 |
| MW: | 136.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+144 more
