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DocumentationIdentifier: MM71684
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM71684 |
| SMILES |
COCC(O)C(C)CC#N
|
| InChIKey |
JUPBZARTOHNOKS-UHFFFAOYSA-N
|
| MW [Da] |
143.19
Automatically obtained from RDkit software. |
| LogP |
0.54
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM171844
Similarity: 0.7308
Similarity to MM171844
| Tanimoto metric | 0.7308 |
|---|---|
| Cosine metric | 0.8549 |
| Dice metric | 0.8444 |
| MW: | 132.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM375882
Similarity: 0.6983
Similarity to MM375882
| Tanimoto metric | 0.6983 |
|---|---|
| Cosine metric | 0.8236 |
| Dice metric | 0.8223 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM58972
Similarity: 0.6406
Similarity to MM58972
| Tanimoto metric | 0.6406 |
|---|---|
| Cosine metric | 0.781 |
| Dice metric | 0.781 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+328 more
