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DocumentationIdentifier: MM392687
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM392687 |
| SMILES |
CC(C)C(C#N)NCC#N
|
| InChIKey |
GLCHNEFIILQJNS-UHFFFAOYSA-N
|
| MW [Da] |
137.19
Automatically obtained from RDkit software. |
| LogP |
0.65
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM392567
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Similarity to MM392567
| Tanimoto metric | 0.8384 |
|---|---|
| Cosine metric | 0.9121 |
| Dice metric | 0.9121 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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| Tanimoto metric | 0.81 |
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| Cosine metric | 0.895 |
| Dice metric | 0.895 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM198980
Similarity: 0.7582
Similarity to MM198980
| Tanimoto metric | 0.7582 |
|---|---|
| Cosine metric | 0.8708 |
| Dice metric | 0.8625 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+215 more
