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DocumentationIdentifier: MM196497
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM196497 |
| SMILES |
CC#CC(C)C1CN1C
|
| InChIKey |
YRZLIBHUNCFMCI-UHFFFAOYSA-N
|
| MW [Da] |
123.2
Automatically obtained from RDkit software. |
| LogP |
0.96
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM418426
Similarity: 0.8512
Similarity to MM418426
| Tanimoto metric | 0.8512 |
|---|---|
| Cosine metric | 0.9226 |
| Dice metric | 0.9196 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM195204
Similarity: 0.7386
Similarity to MM195204
| Tanimoto metric | 0.7386 |
|---|---|
| Cosine metric | 0.852 |
| Dice metric | 0.8496 |
| MW: | 119.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM449115
Similarity: 0.6561
Similarity to MM449115
| Tanimoto metric | 0.6561 |
|---|---|
| Cosine metric | 0.7963 |
| Dice metric | 0.7923 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+152 more
