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DocumentationIdentifier: MM102365
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM102365 |
| SMILES |
C#CC1C(C)N1C
|
| InChIKey |
CTMJGUWIPOZFMU-UHFFFAOYSA-N
|
| MW [Da] |
95.15
Automatically obtained from RDkit software. |
| LogP |
0.32
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM127531
Similarity: 0.8878
Similarity to MM127531
| Tanimoto metric | 0.8878 |
|---|---|
| Cosine metric | 0.9422 |
| Dice metric | 0.9405 |
| MW: | 105.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM127483
Similarity: 0.7838
Similarity to MM127483
| Tanimoto metric | 0.7838 |
|---|---|
| Cosine metric | 0.8853 |
| Dice metric | 0.8788 |
| MW: | 109.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM124224
Similarity: 0.7016
Similarity to MM124224
| Tanimoto metric | 0.7016 |
|---|---|
| Cosine metric | 0.8376 |
| Dice metric | 0.8246 |
| MW: | 109.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+460 more
