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DocumentationIdentifier: MM413931
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM413931 |
| SMILES |
CNCCOC(C=O)=CN
|
| InChIKey |
DTNJXKCRYAOXBR-UHFFFAOYSA-N
|
| MW [Da] |
144.17
Automatically obtained from RDkit software. |
| LogP |
-0.78
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM166903
Similarity: 0.729
Similarity to MM166903
| Tanimoto metric | 0.729 |
|---|---|
| Cosine metric | 0.8538 |
| Dice metric | 0.8432 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM38097
Similarity: 0.6449
Similarity to MM38097
| Tanimoto metric | 0.6449 |
|---|---|
| Cosine metric | 0.803 |
| Dice metric | 0.7841 |
| MW: | 115.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM365857
Similarity: 0.6446
Similarity to MM365857
| Tanimoto metric | 0.6446 |
|---|---|
| Cosine metric | 0.7862 |
| Dice metric | 0.7839 |
| MW: | 143.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+214 more
