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DocumentationIdentifier: MM155489
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM155489 |
| SMILES |
CC1N(CC#N)C1(C)C
|
| InChIKey |
CUMOEJAVNJKBKO-UHFFFAOYSA-N
|
| MW [Da] |
124.19
Automatically obtained from RDkit software. |
| LogP |
0.99
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM249423
Similarity: 0.8323
Similarity to MM249423
| Tanimoto metric | 0.8323 |
|---|---|
| Cosine metric | 0.9123 |
| Dice metric | 0.9085 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM106902
Similarity: 0.7132
Similarity to MM106902
| Tanimoto metric | 0.7132 |
|---|---|
| Cosine metric | 0.8445 |
| Dice metric | 0.8326 |
| MW: | 110.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM176989
Similarity: 0.6728
Similarity to MM176989
| Tanimoto metric | 0.6728 |
|---|---|
| Cosine metric | 0.8054 |
| Dice metric | 0.8044 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+146 more
