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DocumentationIdentifier: MM339984
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM339984 |
| SMILES |
CCC(C=O)NCC(C)C
|
| InChIKey |
XOMOCWJPLGUXNN-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 |
Similar entries
MM392565
Similarity: 0.8316
Similarity to MM392565
| Tanimoto metric | 0.8316 |
|---|---|
| Cosine metric | 0.909 |
| Dice metric | 0.908 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM198842
Similarity: 0.8313
Similarity to MM198842
| Tanimoto metric | 0.8313 |
|---|---|
| Cosine metric | 0.9118 |
| Dice metric | 0.9079 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM326759
Similarity: 0.7667
Similarity to MM326759
| Tanimoto metric | 0.7667 |
|---|---|
| Cosine metric | 0.8688 |
| Dice metric | 0.8679 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+284 more
