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DocumentationIdentifier: MM293513
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM293513 |
| SMILES |
C=CCC(=O)C(C)NC=O
|
| InChIKey |
LECGHUYAYBCHTJ-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
0.27
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM172556
Similarity: 0.7661
Similarity to MM172556
| Tanimoto metric | 0.7661 |
|---|---|
| Cosine metric | 0.8753 |
| Dice metric | 0.8676 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM74493
Similarity: 0.6443
Similarity to MM74493
| Tanimoto metric | 0.6443 |
|---|---|
| Cosine metric | 0.7837 |
| Dice metric | 0.7837 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM46046
Similarity: 0.6371
Similarity to MM46046
| Tanimoto metric | 0.6371 |
|---|---|
| Cosine metric | 0.7982 |
| Dice metric | 0.7783 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+15 more
