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DocumentationIdentifier: MM80043
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM80043 |
| SMILES |
CNC(C)C(C)(O)COC
|
| InChIKey |
AIPABVCZSFYDQI-UHFFFAOYSA-N
|
| MW [Da] |
147.22
Automatically obtained from RDkit software. |
| LogP |
-0.01
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM132592
Similarity: 0.7215
Similarity to MM132592
| Tanimoto metric | 0.7215 |
|---|---|
| Cosine metric | 0.8494 |
| Dice metric | 0.8382 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM77006
Similarity: 0.6369
Similarity to MM77006
| Tanimoto metric | 0.6369 |
|---|---|
| Cosine metric | 0.7806 |
| Dice metric | 0.7782 |
| MW: | 147.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM73801
Similarity: 0.6237
Similarity to MM73801
| Tanimoto metric | 0.6237 |
|---|---|
| Cosine metric | 0.7683 |
| Dice metric | 0.7683 |
| MW: | 147.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+199 more
