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DocumentationIdentifier: MM216816
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM216816 |
| SMILES |
C=CCCN1CC1C#N
|
| InChIKey |
GFSKDWHJSILFEN-UHFFFAOYSA-N
|
| MW [Da] |
122.17
Automatically obtained from RDkit software. |
| LogP |
0.77
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM127796
Similarity: 0.807
Similarity to MM127796
| Tanimoto metric | 0.807 |
|---|---|
| Cosine metric | 0.8983 |
| Dice metric | 0.8932 |
| MW: | 110.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM216819
Similarity: 0.7603
Similarity to MM216819
| Tanimoto metric | 0.7603 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8638 |
| MW: | 121.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM216730
Similarity: 0.7266
Similarity to MM216730
| Tanimoto metric | 0.7266 |
|---|---|
| Cosine metric | 0.8421 |
| Dice metric | 0.8416 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+139 more
