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DocumentationIdentifier: MM107216
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM107216 |
| SMILES |
CC(CCO)NC=N
|
| InChIKey |
NCMKECDOZMESKE-UHFFFAOYSA-N
|
| MW [Da] |
116.16
Automatically obtained from RDkit software. |
| LogP |
-0.05
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM177819
Similarity: 0.8056
Similarity to MM177819
| Tanimoto metric | 0.8056 |
|---|---|
| Cosine metric | 0.8975 |
| Dice metric | 0.8923 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM156717
Similarity: 0.7945
Similarity to MM156717
| Tanimoto metric | 0.7945 |
|---|---|
| Cosine metric | 0.8914 |
| Dice metric | 0.8855 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | |||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM132382
Similarity: 0.7436
Similarity to MM132382
| Tanimoto metric | 0.7436 |
|---|---|
| Cosine metric | 0.8623 |
| Dice metric | 0.8529 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+444 more
