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DocumentationIdentifier: MM386317
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM386317 |
| SMILES |
CCCNC(CC)CC=O
|
| InChIKey |
FQHRWTNBILICST-UHFFFAOYSA-N
|
| MW [Da] |
143.23
Automatically obtained from RDkit software. |
| LogP |
1.35
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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MM272025
Similarity: 0.8625
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| Tanimoto metric | 0.8625 |
|---|---|
| Cosine metric | 0.9262 |
| Dice metric | 0.9262 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| PI: | 3
Total passive interactions
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| LogP: | 0.96 |
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| Tanimoto metric | 0.7922 |
|---|---|
| Cosine metric | 0.8874 |
| Dice metric | 0.8841 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+539 more
