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DocumentationIdentifier: MM344094
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM344094 |
| SMILES |
CCC(C)CC(C)C(N)=O
|
| InChIKey |
QZLVEQFBGWCASI-UHFFFAOYSA-N
|
| MW [Da] |
143.23
Automatically obtained from RDkit software. |
| LogP |
1.54
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM342198
Similarity: 0.8242
Similarity to MM342198
| Tanimoto metric | 0.8242 |
|---|---|
| Cosine metric | 0.9078 |
| Dice metric | 0.9036 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM343532
Similarity: 0.81
Similarity to MM343532
| Tanimoto metric | 0.81 |
|---|---|
| Cosine metric | 0.895 |
| Dice metric | 0.895 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM304312
Similarity: 0.7813
Similarity to MM304312
| Tanimoto metric | 0.7813 |
|---|---|
| Cosine metric | 0.879 |
| Dice metric | 0.8772 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+476 more
