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DocumentationIdentifier: MM127796
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM127796 |
| SMILES |
CCCN1CC1C#N
|
| InChIKey |
MAVDYPIEZAPIEI-UHFFFAOYSA-N
|
| MW [Da] |
110.16
Automatically obtained from RDkit software. |
| LogP |
0.6
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM216819
Similarity: 0.9293
Similarity to MM216819
| Tanimoto metric | 0.9293 |
|---|---|
| Cosine metric | 0.964 |
| Dice metric | 0.9634 |
| MW: | 121.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM216730
Similarity: 0.8598
Similarity to MM216730
| Tanimoto metric | 0.8598 |
|---|---|
| Cosine metric | 0.9273 |
| Dice metric | 0.9246 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM216816
Similarity: 0.807
Similarity to MM216816
| Tanimoto metric | 0.807 |
|---|---|
| Cosine metric | 0.8983 |
| Dice metric | 0.8932 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+172 more
