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DocumentationIdentifier: MM79823
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM79823 |
| SMILES |
C=CN(C=O)CC(O)CC
|
| InChIKey |
QBGRKPNNPVIGCH-UHFFFAOYSA-N
|
| MW [Da] |
143.19
Automatically obtained from RDkit software. |
| LogP |
0.36
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM327829
Similarity: 0.6556
Similarity to MM327829
| Tanimoto metric | 0.6556 |
|---|---|
| Cosine metric | 0.792 |
| Dice metric | 0.792 |
| MW: | 145.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM327828
Similarity: 0.6554
Similarity to MM327828
| Tanimoto metric | 0.6554 |
|---|---|
| Cosine metric | 0.792 |
| Dice metric | 0.7918 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM328044
Similarity: 0.6429
Similarity to MM328044
| Tanimoto metric | 0.6429 |
|---|---|
| Cosine metric | 0.7827 |
| Dice metric | 0.7826 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+104 more
