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DocumentationIdentifier: MM218826
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM218826 |
| SMILES |
C#CCC1C(C#C)N1C
|
| InChIKey |
IIZYPEJNEXNXQT-UHFFFAOYSA-N
|
| MW [Da] |
119.17
Automatically obtained from RDkit software. |
| LogP |
0.33
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM127480
Similarity: 0.8562
Similarity to MM127480
| Tanimoto metric | 0.8562 |
|---|---|
| Cosine metric | 0.9253 |
| Dice metric | 0.9225 |
| MW: | 109.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM446523
Similarity: 0.8391
Similarity to MM446523
| Tanimoto metric | 0.8391 |
|---|---|
| Cosine metric | 0.916 |
| Dice metric | 0.9125 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM218810
Similarity: 0.7241
Similarity to MM218810
| Tanimoto metric | 0.7241 |
|---|---|
| Cosine metric | 0.8403 |
| Dice metric | 0.84 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+473 more
