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DocumentationIdentifier: MM172556
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM172556 |
| SMILES |
CCC(=O)C(C)NC=O
|
| InChIKey |
DDKMZMCIKBAYHK-UHFFFAOYSA-N
|
| MW [Da] |
129.16
Automatically obtained from RDkit software. |
| LogP |
0.1
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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MM74493
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| Tanimoto metric | 0.7851 |
|---|---|
| Cosine metric | 0.8861 |
| Dice metric | 0.8796 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM293513
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| Tanimoto metric | 0.7661 |
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| Cosine metric | 0.8753 |
| Dice metric | 0.8676 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.27 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM34468
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| Tanimoto metric | 0.7368 |
|---|---|
| Cosine metric | 0.8584 |
| Dice metric | 0.8485 |
| MW: | 115.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+106 more
