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DocumentationIdentifier: MM127480
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM127480 |
| SMILES |
C#CC1C(CC)N1C
|
| InChIKey |
OTOVZUDOAJXAJD-UHFFFAOYSA-N
|
| MW [Da] |
109.17
Automatically obtained from RDkit software. |
| LogP |
0.71
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM218826
Similarity: 0.8562
Similarity to MM218826
| Tanimoto metric | 0.8562 |
|---|---|
| Cosine metric | 0.9253 |
| Dice metric | 0.9225 |
| MW: | 119.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM218810
Similarity: 0.8117
Similarity to MM218810
| Tanimoto metric | 0.8117 |
|---|---|
| Cosine metric | 0.9009 |
| Dice metric | 0.8961 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM218811
Similarity: 0.7716
Similarity to MM218811
| Tanimoto metric | 0.7716 |
|---|---|
| Cosine metric | 0.8784 |
| Dice metric | 0.8711 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+631 more
