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DocumentationIdentifier: MM272031
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM272031 |
| SMILES |
CC(C)OC(CO)CC#N
|
| InChIKey |
XRIRHKIJRLVLCJ-UHFFFAOYSA-N
|
| MW [Da] |
143.19
Automatically obtained from RDkit software. |
| LogP |
0.69
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM51225
Similarity: 0.8681
Similarity to MM51225
| Tanimoto metric | 0.8681 |
|---|---|
| Cosine metric | 0.9317 |
| Dice metric | 0.9294 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM87550
Similarity: 0.802
Similarity to MM87550
| Tanimoto metric | 0.802 |
|---|---|
| Cosine metric | 0.8901 |
| Dice metric | 0.8901 |
| MW: | 145.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM64623
Similarity: 0.7938
Similarity to MM64623
| Tanimoto metric | 0.7938 |
|---|---|
| Cosine metric | 0.886 |
| Dice metric | 0.8851 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+391 more
