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DocumentationIdentifier: MM279292
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM279292 |
| SMILES |
CC=CC(=O)OCCCN
|
| InChIKey |
OEJGZQQJBVCVRH-UHFFFAOYSA-N
|
| MW [Da] |
143.19
Automatically obtained from RDkit software. |
| LogP |
0.45
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM157279
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| Tanimoto metric | 0.8229 |
|---|---|
| Cosine metric | 0.9071 |
| Dice metric | 0.9029 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.8125 |
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| Cosine metric | 0.9014 |
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| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.06 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM357697
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| Tanimoto metric | 0.7453 |
|---|---|
| Cosine metric | 0.8547 |
| Dice metric | 0.8541 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+496 more
