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DocumentationIdentifier: MM306517
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM306517 |
| SMILES |
CCC=CC(=O)NC
|
| InChIKey |
LGJWBFOHDGOHPU-UHFFFAOYSA-N
|
| MW [Da] |
113.16
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
MM169821
Similarity: 0.863
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| Tanimoto metric | 0.863 |
|---|---|
| Cosine metric | 0.929 |
| Dice metric | 0.9265 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM305723
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| Tanimoto metric | 0.8514 |
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| Cosine metric | 0.9227 |
| Dice metric | 0.9197 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.86 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM282302
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Similarity to MM282302
| Tanimoto metric | 0.8514 |
|---|---|
| Cosine metric | 0.9227 |
| Dice metric | 0.9197 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+578 more
