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DocumentationIdentifier: MM433275
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM433275 |
| SMILES |
CCCN1CC1(C#N)C#N
|
| InChIKey |
DZICOOTYSOURMA-UHFFFAOYSA-N
|
| MW [Da] |
135.17
Automatically obtained from RDkit software. |
| LogP |
0.5
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM177137
Similarity: 0.865
Similarity to MM177137
| Tanimoto metric | 0.865 |
|---|---|
| Cosine metric | 0.9301 |
| Dice metric | 0.9276 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM373287
Similarity: 0.8294
Similarity to MM373287
| Tanimoto metric | 0.8294 |
|---|---|
| Cosine metric | 0.9078 |
| Dice metric | 0.9068 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM271646
Similarity: 0.8256
Similarity to MM271646
| Tanimoto metric | 0.8256 |
|---|---|
| Cosine metric | 0.9051 |
| Dice metric | 0.9045 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+65 more
