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DocumentationIdentifier: MM280074
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM280074 |
| SMILES |
COCC(=O)NC=CCN
|
| InChIKey |
KSUACLUQINMGFZ-UHFFFAOYSA-N
|
| MW [Da] |
144.17
Automatically obtained from RDkit software. |
| LogP |
-0.78
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM70159
Similarity: 0.7611
Similarity to MM70159
| Tanimoto metric | 0.7611 |
|---|---|
| Cosine metric | 0.8643 |
| Dice metric | 0.8643 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM356569
Similarity: 0.7544
Similarity to MM356569
| Tanimoto metric | 0.7544 |
|---|---|
| Cosine metric | 0.86 |
| Dice metric | 0.86 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM280075
Similarity: 0.7436
Similarity to MM280075
| Tanimoto metric | 0.7436 |
|---|---|
| Cosine metric | 0.8531 |
| Dice metric | 0.8529 |
| MW: | 147.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+439 more
