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DocumentationIdentifier: MM441266
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM441266 |
| SMILES |
CC#CCN1CC1C#CC
|
| InChIKey |
XIIYYOGTECHIOP-UHFFFAOYSA-N
|
| MW [Da] |
133.19
Automatically obtained from RDkit software. |
| LogP |
0.72
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM194961
Similarity: 0.9683
Similarity to MM194961
| Tanimoto metric | 0.9683 |
|---|---|
| Cosine metric | 0.984 |
| Dice metric | 0.9839 |
| MW: | 119.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM447945
Similarity: 0.9063
Similarity to MM447945
| Tanimoto metric | 0.9063 |
|---|---|
| Cosine metric | 0.9513 |
| Dice metric | 0.9508 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM217039
Similarity: 0.873
Similarity to MM217039
| Tanimoto metric | 0.873 |
|---|---|
| Cosine metric | 0.9344 |
| Dice metric | 0.9322 |
| MW: | 119.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+448 more
