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DocumentationIdentifier: MM81545
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM81545 |
| SMILES |
COC(C#N)CCC(=O)O
|
| InChIKey |
WDCURLKDFFCFRJ-UHFFFAOYSA-N
|
| MW [Da] |
143.14
Automatically obtained from RDkit software. |
| LogP |
0.39
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM417297
Similarity: 0.7281
Similarity to MM417297
| Tanimoto metric | 0.7281 |
|---|---|
| Cosine metric | 0.8533 |
| Dice metric | 0.8426 |
| MW: | 129.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM54239
Similarity: 0.6491
Similarity to MM54239
| Tanimoto metric | 0.6491 |
|---|---|
| Cosine metric | 0.8057 |
| Dice metric | 0.7872 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM81542
Similarity: 0.6071
Similarity to MM81542
| Tanimoto metric | 0.6071 |
|---|---|
| Cosine metric | 0.7556 |
| Dice metric | 0.7556 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+150 more
