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DocumentationIdentifier: MM107230
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM107230 |
| SMILES |
CCOC(C)CC#N
|
| InChIKey |
QOCOLVSLFJXIMD-UHFFFAOYSA-N
|
| MW [Da] |
113.16
Automatically obtained from RDkit software. |
| LogP |
1.33
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM155903
Similarity: 0.871
Similarity to MM155903
| Tanimoto metric | 0.871 |
|---|---|
| Cosine metric | 0.9333 |
| Dice metric | 0.931 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM261439
Similarity: 0.7941
Similarity to MM261439
| Tanimoto metric | 0.7941 |
|---|---|
| Cosine metric | 0.8911 |
| Dice metric | 0.8852 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM26183
Similarity: 0.7778
Similarity to MM26183
| Tanimoto metric | 0.7778 |
|---|---|
| Cosine metric | 0.8819 |
| Dice metric | 0.875 |
| MW: | 99.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+531 more
