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DocumentationIdentifier: MM262766
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM262766 |
| SMILES |
CCOC(=O)CN(C)C=O
|
| InChIKey |
NIKQGOWFFADOLO-UHFFFAOYSA-N
|
| MW [Da] |
145.16
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
MM23796
Similarity: 0.7
Similarity to MM23796
| Tanimoto metric | 0.7 |
|---|---|
| Cosine metric | 0.8236 |
| Dice metric | 0.8235 |
| MW: | 143.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM23925
Similarity: 0.6691
Similarity to MM23925
| Tanimoto metric | 0.6691 |
|---|---|
| Cosine metric | 0.8024 |
| Dice metric | 0.8018 |
| MW: | 145.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM83300
Similarity: 0.6587
Similarity to MM83300
| Tanimoto metric | 0.6587 |
|---|---|
| Cosine metric | 0.795 |
| Dice metric | 0.7943 |
| MW: | 142.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -1.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+39 more
