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DocumentationIdentifier: MM373222
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM373222 |
| SMILES |
C=CCCC1NC1(C)C#N
|
| InChIKey |
MHPWGEIRPCDNQM-UHFFFAOYSA-N
|
| MW [Da] |
136.2
Automatically obtained from RDkit software. |
| LogP |
1.21
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM177106
Similarity: 0.861
Similarity to MM177106
| Tanimoto metric | 0.861 |
|---|---|
| Cosine metric | 0.9279 |
| Dice metric | 0.9253 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM373230
Similarity: 0.81
Similarity to MM373230
| Tanimoto metric | 0.81 |
|---|---|
| Cosine metric | 0.8955 |
| Dice metric | 0.895 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM433087
Similarity: 0.7667
Similarity to MM433087
| Tanimoto metric | 0.7667 |
|---|---|
| Cosine metric | 0.868 |
| Dice metric | 0.8679 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+158 more
