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DocumentationIdentifier: MM157281
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM157281 |
| SMILES |
NC=CC(=O)OCCN
|
| InChIKey |
PKYIWDWAMZUPLI-UHFFFAOYSA-N
|
| MW [Da] |
130.15
Automatically obtained from RDkit software. |
| LogP |
-1.04
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM113342
Similarity: 0.7625
Similarity to MM113342
| Tanimoto metric | 0.7625 |
|---|---|
| Cosine metric | 0.8732 |
| Dice metric | 0.8652 |
| MW: | 115.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM157340
Similarity: 0.6563
Similarity to MM157340
| Tanimoto metric | 0.6563 |
|---|---|
| Cosine metric | 0.7925 |
| Dice metric | 0.7925 |
| MW: | 129.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM157282
Similarity: 0.6563
Similarity to MM157282
| Tanimoto metric | 0.6563 |
|---|---|
| Cosine metric | 0.7925 |
| Dice metric | 0.7925 |
| MW: | 131.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+428 more
