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DocumentationIdentifier: MM342150
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM342150 |
| SMILES |
CC(C)CC(C)C(N)=O
|
| InChIKey |
POLRBXCXVRASTG-UHFFFAOYSA-N
|
| MW [Da] |
129.2
Automatically obtained from RDkit software. |
| LogP |
1.15
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM245139
Similarity: 0.8765
Similarity to MM245139
| Tanimoto metric | 0.8765 |
|---|---|
| Cosine metric | 0.9362 |
| Dice metric | 0.9342 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM335582
Similarity: 0.8592
Similarity to MM335582
| Tanimoto metric | 0.8592 |
|---|---|
| Cosine metric | 0.9269 |
| Dice metric | 0.9242 |
| MW: | 115.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM343532
Similarity: 0.7889
Similarity to MM343532
| Tanimoto metric | 0.7889 |
|---|---|
| Cosine metric | 0.8882 |
| Dice metric | 0.882 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+597 more
