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DocumentationIdentifier: MM302032
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM302032 |
| SMILES |
CCNCCC(=O)C(C)C
|
| InChIKey |
CRJZQXOFQYSPMV-UHFFFAOYSA-N
|
| MW [Da] |
143.23
Automatically obtained from RDkit software. |
| LogP |
1.21
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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| Tanimoto metric | 0.8625 |
|---|---|
| Cosine metric | 0.9287 |
| Dice metric | 0.9262 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.82 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7875 |
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| Cosine metric | 0.8874 |
| Dice metric | 0.8811 |
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||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 0.97 |
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MM364495
Similarity: 0.7683
Similarity to MM364495
| Tanimoto metric | 0.7683 |
|---|---|
| Cosine metric | 0.8737 |
| Dice metric | 0.869 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+356 more
