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DocumentationIdentifier: MM196042
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM196042 |
| SMILES |
CC(C)C1CN1CC#N
|
| InChIKey |
HALJYSAQQKLFFH-UHFFFAOYSA-N
|
| MW [Da] |
124.19
Automatically obtained from RDkit software. |
| LogP |
0.85
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM434261
Similarity: 0.7593
Similarity to MM434261
| Tanimoto metric | 0.7593 |
|---|---|
| Cosine metric | 0.8714 |
| Dice metric | 0.8632 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM127698
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| Tanimoto metric | 0.7561 |
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| Cosine metric | 0.8695 |
| Dice metric | 0.8611 |
| MW: | 110.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM435243
Similarity: 0.741
Similarity to MM435243
| Tanimoto metric | 0.741 |
|---|---|
| Cosine metric | 0.8608 |
| Dice metric | 0.8512 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+241 more
