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DocumentationIdentifier: MM210722
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM210722 |
| SMILES |
CCN1CC1C(C)C#N
|
| InChIKey |
LTXTXMOAYQAHTJ-UHFFFAOYSA-N
|
| MW [Da] |
124.19
Automatically obtained from RDkit software. |
| LogP |
0.85
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM434845
Similarity: 0.925
Similarity to MM434845
| Tanimoto metric | 0.925 |
|---|---|
| Cosine metric | 0.9618 |
| Dice metric | 0.961 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM426282
Similarity: 0.9193
Similarity to MM426282
| Tanimoto metric | 0.9193 |
|---|---|
| Cosine metric | 0.9588 |
| Dice metric | 0.9579 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM435243
Similarity: 0.8916
Similarity to MM435243
| Tanimoto metric | 0.8916 |
|---|---|
| Cosine metric | 0.9442 |
| Dice metric | 0.9427 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+182 more
