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DocumentationIdentifier: MM71796
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM71796 |
| SMILES |
COCC(=O)C(O)CC#N
|
| InChIKey |
WSQMVZDXHHCSMH-UHFFFAOYSA-N
|
| MW [Da] |
143.14
Automatically obtained from RDkit software. |
| LogP |
-0.52
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM172515
Similarity: 0.7661
Similarity to MM172515
| Tanimoto metric | 0.7661 |
|---|---|
| Cosine metric | 0.8753 |
| Dice metric | 0.8676 |
| MW: | 129.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM94446
Similarity: 0.7267
Similarity to MM94446
| Tanimoto metric | 0.7267 |
|---|---|
| Cosine metric | 0.8425 |
| Dice metric | 0.8417 |
| MW: | 143.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM45890
Similarity: 0.629
Similarity to MM45890
| Tanimoto metric | 0.629 |
|---|---|
| Cosine metric | 0.7931 |
| Dice metric | 0.7723 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+150 more
