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DocumentationIdentifier: MM426282
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM426282 |
| SMILES |
CCN1CC1C(C#N)C#N
|
| InChIKey |
MSOWUHSFPWZLIJ-UHFFFAOYSA-N
|
| MW [Da] |
135.17
Automatically obtained from RDkit software. |
| LogP |
0.35
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: 0.9193
Similarity to MM210722
| Tanimoto metric | 0.9193 |
|---|---|
| Cosine metric | 0.9588 |
| Dice metric | 0.9579 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM434845
Similarity: 0.8663
Similarity to MM434845
| Tanimoto metric | 0.8663 |
|---|---|
| Cosine metric | 0.9284 |
| Dice metric | 0.9283 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM435243
Similarity: 0.8268
Similarity to MM435243
| Tanimoto metric | 0.8268 |
|---|---|
| Cosine metric | 0.9053 |
| Dice metric | 0.9052 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+51 more
