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DocumentationIdentifier: MM46579
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM46579 |
| SMILES |
CCCC(CO)NCC#N
|
| InChIKey |
RDUXCHNQNLNVMS-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
0.26
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM47096
Similarity: 0.7857
Similarity to MM47096
| Tanimoto metric | 0.7857 |
|---|---|
| Cosine metric | 0.8864 |
| Dice metric | 0.88 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM385872
Similarity: 0.7333
Similarity to MM385872
| Tanimoto metric | 0.7333 |
|---|---|
| Cosine metric | 0.8487 |
| Dice metric | 0.8462 |
| MW: | 145.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM385874
Similarity: 0.7
Similarity to MM385874
| Tanimoto metric | 0.7 |
|---|---|
| Cosine metric | 0.8245 |
| Dice metric | 0.8235 |
| MW: | 147.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+434 more
