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DocumentationIdentifier: MM198628
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM198628 |
| SMILES |
CCC(CC)CCC#N
|
| InChIKey |
XHUWROVEEFXLID-UHFFFAOYSA-N
|
| MW [Da] |
125.22
Automatically obtained from RDkit software. |
| LogP |
2.73
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM112627
Similarity: 0.9
Similarity to MM112627
| Tanimoto metric | 0.9 |
|---|---|
| Cosine metric | 0.9487 |
| Dice metric | 0.9474 |
| MW: | 111.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM155929
Similarity: 0.7826
Similarity to MM155929
| Tanimoto metric | 0.7826 |
|---|---|
| Cosine metric | 0.8783 |
| Dice metric | 0.878 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM155726
Similarity: 0.7826
Similarity to MM155726
| Tanimoto metric | 0.7826 |
|---|---|
| Cosine metric | 0.8783 |
| Dice metric | 0.878 |
| MW: | 125.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+300 more
