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DocumentationIdentifier: MM57554
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM57554 |
| SMILES |
CNC(COC)CC(C)=O
|
| InChIKey |
VPVKOAAKSIYHSC-UHFFFAOYSA-N
|
| MW [Da] |
145.2
Automatically obtained from RDkit software. |
| LogP |
0.2
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM149901
Similarity: 0.7778
Similarity to MM149901
| Tanimoto metric | 0.7778 |
|---|---|
| Cosine metric | 0.8819 |
| Dice metric | 0.875 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM56180
Similarity: 0.7063
Similarity to MM56180
| Tanimoto metric | 0.7063 |
|---|---|
| Cosine metric | 0.8404 |
| Dice metric | 0.8279 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM328527
Similarity: 0.66
Similarity to MM328527
| Tanimoto metric | 0.66 |
|---|---|
| Cosine metric | 0.7952 |
| Dice metric | 0.7952 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+100 more
