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DocumentationIdentifier: MM63234
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM63234 |
| SMILES |
C=C(C)C#CC(C)NC=O
|
| InChIKey |
DNSKDHDPHVKYDR-UHFFFAOYSA-N
|
| MW [Da] |
137.18
Automatically obtained from RDkit software. |
| LogP |
0.7
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM158420
Similarity: 0.7723
Similarity to MM158420
| Tanimoto metric | 0.7723 |
|---|---|
| Cosine metric | 0.8788 |
| Dice metric | 0.8715 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM45580
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| Tanimoto metric | 0.6931 |
|---|---|
| Cosine metric | 0.8325 |
| Dice metric | 0.8187 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM158393
Similarity: 0.6931
Similarity to MM158393
| Tanimoto metric | 0.6931 |
|---|---|
| Cosine metric | 0.8325 |
| Dice metric | 0.8187 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+148 more
