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DocumentationIdentifier: MM145400
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM145400 |
| SMILES |
CCC(O)C=CC(C)N
|
| InChIKey |
WRAQXQCDEKLOPS-UHFFFAOYSA-N
|
| MW [Da] |
129.2
Automatically obtained from RDkit software. |
| LogP |
0.66
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM252035
Similarity: 0.8587
Similarity to MM252035
| Tanimoto metric | 0.8587 |
|---|---|
| Cosine metric | 0.9267 |
| Dice metric | 0.924 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM252036
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Similarity to MM252036
| Tanimoto metric | 0.8404 |
|---|---|
| Cosine metric | 0.9167 |
| Dice metric | 0.9133 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.4 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM320983
Similarity: 0.8229
Similarity to MM320983
| Tanimoto metric | 0.8229 |
|---|---|
| Cosine metric | 0.9071 |
| Dice metric | 0.9029 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+905 more
