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DocumentationIdentifier: MM334180
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM334180 |
| SMILES |
CC(=O)N(CC=O)C(C)C
|
| InChIKey |
PSTGHUOAGAOEQZ-UHFFFAOYSA-N
|
| MW [Da] |
143.19
Automatically obtained from RDkit software. |
| LogP |
0.44
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM386456
Similarity: 0.8214
Similarity to MM386456
| Tanimoto metric | 0.8214 |
|---|---|
| Cosine metric | 0.9035 |
| Dice metric | 0.902 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM24432
Similarity: 0.7396
Similarity to MM24432
| Tanimoto metric | 0.7396 |
|---|---|
| Cosine metric | 0.86 |
| Dice metric | 0.8503 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM336188
Similarity: 0.7188
Similarity to MM336188
| Tanimoto metric | 0.7188 |
|---|---|
| Cosine metric | 0.8478 |
| Dice metric | 0.8364 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+427 more
