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DocumentationIdentifier: MM280184
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM280184 |
| SMILES |
CNCC(=O)NC=CC#N
|
| InChIKey |
JMBBVWNYMGRUGP-UHFFFAOYSA-N
|
| MW [Da] |
139.16
Automatically obtained from RDkit software. |
| LogP |
-0.64
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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MM48048
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Similarity to MM48048
| Tanimoto metric | 0.8105 |
|---|---|
| Cosine metric | 0.9003 |
| Dice metric | 0.8953 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM280069
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| Tanimoto metric | 0.7196 |
|---|---|
| Cosine metric | 0.8374 |
| Dice metric | 0.837 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM280070
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Similarity to MM280070
| Tanimoto metric | 0.6814 |
|---|---|
| Cosine metric | 0.8105 |
| Dice metric | 0.8105 |
| MW: | 146.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+107 more
