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DocumentationIdentifier: MM260019
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM260019 |
| SMILES |
C=CN(C)C=NCC(N)=O
|
| InChIKey |
HLDNCIZRTMKWOP-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
-0.42
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM58013
Similarity: 0.7444
Similarity to MM58013
| Tanimoto metric | 0.7444 |
|---|---|
| Cosine metric | 0.8628 |
| Dice metric | 0.8535 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM259166
Similarity: 0.6449
Similarity to MM259166
| Tanimoto metric | 0.6449 |
|---|---|
| Cosine metric | 0.7843 |
| Dice metric | 0.7841 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM93950
Similarity: 0.6327
Similarity to MM93950
| Tanimoto metric | 0.6327 |
|---|---|
| Cosine metric | 0.7811 |
| Dice metric | 0.775 |
| MW: | 141.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+84 more
