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DocumentationIdentifier: MM388447
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM388447 |
| SMILES |
CCCC1NC1C(C)=O
|
| InChIKey |
LUPKAEMQSWRGSI-UHFFFAOYSA-N
|
| MW [Da] |
127.19
Automatically obtained from RDkit software. |
| LogP |
0.72
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM400791
Similarity: 0.8497
Similarity to MM400791
| Tanimoto metric | 0.8497 |
|---|---|
| Cosine metric | 0.919 |
| Dice metric | 0.9187 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM389542
Similarity: 0.8261
Similarity to MM389542
| Tanimoto metric | 0.8261 |
|---|---|
| Cosine metric | 0.9089 |
| Dice metric | 0.9048 |
| MW: | 113.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM351092
Similarity: 0.7365
Similarity to MM351092
| Tanimoto metric | 0.7365 |
|---|---|
| Cosine metric | 0.8493 |
| Dice metric | 0.8483 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+165 more
