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DocumentationIdentifier: MM02972
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM02972 |
| SMILES |
CC(C#N)C(=O)COC=O
|
| InChIKey |
AUURKSBVOOEOAS-UHFFFAOYSA-N
|
| MW [Da] |
141.13
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
MM350807
Similarity: 0.752
Similarity to MM350807
| Tanimoto metric | 0.752 |
|---|---|
| Cosine metric | 0.8587 |
| Dice metric | 0.8584 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM242321
Similarity: 0.6992
Similarity to MM242321
| Tanimoto metric | 0.6992 |
|---|---|
| Cosine metric | 0.823 |
| Dice metric | 0.823 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM47958
Similarity: 0.6875
Similarity to MM47958
| Tanimoto metric | 0.6875 |
|---|---|
| Cosine metric | 0.8292 |
| Dice metric | 0.8148 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+83 more
