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DocumentationIdentifier: MM434845
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM434845 |
| SMILES |
CCCN1CC1C(C)C#N
|
| InChIKey |
YVVZUZZINAUZHV-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
1.24
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM210722
Similarity: 0.925
Similarity to MM210722
| Tanimoto metric | 0.925 |
|---|---|
| Cosine metric | 0.9618 |
| Dice metric | 0.961 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM426282
Similarity: 0.8663
Similarity to MM426282
| Tanimoto metric | 0.8663 |
|---|---|
| Cosine metric | 0.9284 |
| Dice metric | 0.9283 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM435243
Similarity: 0.8315
Similarity to MM435243
| Tanimoto metric | 0.8315 |
|---|---|
| Cosine metric | 0.9081 |
| Dice metric | 0.908 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+186 more
