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DocumentationIdentifier: MM382898
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM382898 |
| SMILES |
CCC(=CC#N)C(O)CC
|
| InChIKey |
KCQRYRAWAJICOU-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
1.62
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM175170
Similarity: 0.7934
Similarity to MM175170
| Tanimoto metric | 0.7934 |
|---|---|
| Cosine metric | 0.8907 |
| Dice metric | 0.8848 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM95989
Similarity: 0.7273
Similarity to MM95989
| Tanimoto metric | 0.7273 |
|---|---|
| Cosine metric | 0.8423 |
| Dice metric | 0.8421 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM72314
Similarity: 0.6713
Similarity to MM72314
| Tanimoto metric | 0.6713 |
|---|---|
| Cosine metric | 0.8034 |
| Dice metric | 0.8033 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+469 more
