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DocumentationIdentifier: MM75268
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM75268 |
| SMILES |
COCC(=CC#N)OC=O
|
| InChIKey |
IRVQSQISSZCTBU-UHFFFAOYSA-N
|
| MW [Da] |
141.13
Automatically obtained from RDkit software. |
| LogP |
0.21
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM51870
Similarity: 0.8246
Similarity to MM51870
| Tanimoto metric | 0.8246 |
|---|---|
| Cosine metric | 0.9081 |
| Dice metric | 0.9038 |
| MW: | 127.1 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM304105
Similarity: 0.625
Similarity to MM304105
| Tanimoto metric | 0.625 |
|---|---|
| Cosine metric | 0.7696 |
| Dice metric | 0.7692 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM38025
Similarity: 0.6053
Similarity to MM38025
| Tanimoto metric | 0.6053 |
|---|---|
| Cosine metric | 0.778 |
| Dice metric | 0.7541 |
| MW: | 116.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+44 more
