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DocumentationIdentifier: MM402619
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM402619 |
| SMILES |
CCC(CC)NCCC=O
|
| InChIKey |
CUWBTPCSMZQPSX-UHFFFAOYSA-N
|
| MW [Da] |
143.23
Automatically obtained from RDkit software. |
| LogP |
1.35
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM165840
Similarity: 0.873
Similarity to MM165840
| Tanimoto metric | 0.873 |
|---|---|
| Cosine metric | 0.9344 |
| Dice metric | 0.9322 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM386317
Similarity: 0.7922
Similarity to MM386317
| Tanimoto metric | 0.7922 |
|---|---|
| Cosine metric | 0.8874 |
| Dice metric | 0.8841 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM62157
Similarity: 0.7746
Similarity to MM62157
| Tanimoto metric | 0.7746 |
|---|---|
| Cosine metric | 0.873 |
| Dice metric | 0.873 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+566 more
