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DocumentationIdentifier: MM177106
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM177106 |
| SMILES |
CCCC1NC1(C)C#N
|
| InChIKey |
RNPLTEBTAVQYNS-UHFFFAOYSA-N
|
| MW [Da] |
124.19
Automatically obtained from RDkit software. |
| LogP |
1.04
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM373230
Similarity: 0.92
Similarity to MM373230
| Tanimoto metric | 0.92 |
|---|---|
| Cosine metric | 0.9592 |
| Dice metric | 0.9583 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM433087
Similarity: 0.875
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| Tanimoto metric | 0.875 |
|---|---|
| Cosine metric | 0.9354 |
| Dice metric | 0.9333 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.54 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM373222
Similarity: 0.861
Similarity to MM373222
| Tanimoto metric | 0.861 |
|---|---|
| Cosine metric | 0.9279 |
| Dice metric | 0.9253 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+227 more
