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DocumentationIdentifier: MM216730
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM216730 |
| SMILES |
CCCCN1CC1C#N
|
| InChIKey |
QKVICISLGWWCNG-UHFFFAOYSA-N
|
| MW [Da] |
124.19
Automatically obtained from RDkit software. |
| LogP |
0.99
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: 0.8598
Similarity to MM127796
| Tanimoto metric | 0.8598 |
|---|---|
| Cosine metric | 0.9273 |
| Dice metric | 0.9246 |
| MW: | 110.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM216819
Similarity: 0.823
Similarity to MM216819
| Tanimoto metric | 0.823 |
|---|---|
| Cosine metric | 0.9036 |
| Dice metric | 0.9029 |
| MW: | 121.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM438615
Similarity: 0.7926
Similarity to MM438615
| Tanimoto metric | 0.7926 |
|---|---|
| Cosine metric | 0.8903 |
| Dice metric | 0.8843 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+168 more
