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DocumentationIdentifier: MM76622
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM76622 |
| SMILES |
CCC(O)C(C)(C#N)CO
|
| InChIKey |
SICLORNDOGGGCH-UHFFFAOYSA-N
|
| MW [Da] |
143.19
Automatically obtained from RDkit software. |
| LogP |
0.28
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM137611
Similarity: 0.6833
Similarity to MM137611
| Tanimoto metric | 0.6833 |
|---|---|
| Cosine metric | 0.8266 |
| Dice metric | 0.8119 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM77942
Similarity: 0.6746
Similarity to MM77942
| Tanimoto metric | 0.6746 |
|---|---|
| Cosine metric | 0.8134 |
| Dice metric | 0.8057 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM313544
Similarity: 0.6617
Similarity to MM313544
| Tanimoto metric | 0.6617 |
|---|---|
| Cosine metric | 0.7993 |
| Dice metric | 0.7964 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+227 more
