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DocumentationIdentifier: MM80889
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM80889 |
| SMILES |
CNC(COC)=NCCO
|
| InChIKey |
BCKZSTVTPLBZMI-UHFFFAOYSA-N
|
| MW [Da] |
146.19
Automatically obtained from RDkit software. |
| LogP |
-0.76
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM178505
Similarity: 0.8532
Similarity to MM178505
| Tanimoto metric | 0.8532 |
|---|---|
| Cosine metric | 0.9237 |
| Dice metric | 0.9208 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM410797
Similarity: 0.8034
Similarity to MM410797
| Tanimoto metric | 0.8034 |
|---|---|
| Cosine metric | 0.8915 |
| Dice metric | 0.891 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM389702
Similarity: 0.7323
Similarity to MM389702
| Tanimoto metric | 0.7323 |
|---|---|
| Cosine metric | 0.8455 |
| Dice metric | 0.8455 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+228 more
