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DocumentationIdentifier: MM305643
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM305643 |
| SMILES |
COCC(NC=O)C(C)C
|
| InChIKey |
CZGINGKBXLMBSP-UHFFFAOYSA-N
|
| MW [Da] |
145.2
Automatically obtained from RDkit software. |
| LogP |
0.4
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM302914
Similarity: 0.7788
Similarity to MM302914
| Tanimoto metric | 0.7788 |
|---|---|
| Cosine metric | 0.8825 |
| Dice metric | 0.8756 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM179650
Similarity: 0.7522
Similarity to MM179650
| Tanimoto metric | 0.7522 |
|---|---|
| Cosine metric | 0.8673 |
| Dice metric | 0.8586 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM58518
Similarity: 0.6667
Similarity to MM58518
| Tanimoto metric | 0.6667 |
|---|---|
| Cosine metric | 0.801 |
| Dice metric | 0.8 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+161 more
