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DocumentationIdentifier: MM16188
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM16188 |
| SMILES |
CC(C)(C#N)OCC(=O)O
|
| InChIKey |
FGHJQHPLCOHPDS-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
MM443520
Similarity: 0.8125
Similarity to MM443520
| Tanimoto metric | 0.8125 |
|---|---|
| Cosine metric | 0.9014 |
| Dice metric | 0.8966 |
| MW: | 129.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | |||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM81599
Similarity: 0.75
Similarity to MM81599
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.8584 |
| Dice metric | 0.8571 |
| MW: | 140.1 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM317724
Similarity: 0.6903
Similarity to MM317724
| Tanimoto metric | 0.6903 |
|---|---|
| Cosine metric | 0.8168 |
| Dice metric | 0.8168 |
| MW: | 143.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+144 more
