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DocumentationIdentifier: MM350203
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM350203 |
| SMILES |
COC(C)C(=O)NCCO
|
| InChIKey |
LBWQKANXTYCIQS-UHFFFAOYSA-N
|
| MW [Da] |
147.17
Automatically obtained from RDkit software. |
| LogP |
-0.87
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM84853
Similarity: 0.8209
Similarity to MM84853
| Tanimoto metric | 0.8209 |
|---|---|
| Cosine metric | 0.9016 |
| Dice metric | 0.9016 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM302122
Similarity: 0.7969
Similarity to MM302122
| Tanimoto metric | 0.7969 |
|---|---|
| Cosine metric | 0.8886 |
| Dice metric | 0.887 |
| MW: | 147.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM84883
Similarity: 0.7535
Similarity to MM84883
| Tanimoto metric | 0.7535 |
|---|---|
| Cosine metric | 0.8596 |
| Dice metric | 0.8594 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+569 more
