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DocumentationIdentifier: MM392565
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM392565 |
| SMILES |
CCCNC(C=O)C(C)C
|
| InChIKey |
MYKLAJGDNKCCNE-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
MM179712
Similarity: 0.8681
Similarity to MM179712
| Tanimoto metric | 0.8681 |
|---|---|
| Cosine metric | 0.9317 |
| Dice metric | 0.9294 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.82 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM339984
Similarity: 0.8316
Similarity to MM339984
| 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
|
MM274984
Similarity: 0.81
Similarity to MM274984
| Tanimoto metric | 0.81 |
|---|---|
| Cosine metric | 0.895 |
| Dice metric | 0.895 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+146 more
