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DocumentationIdentifier: MM92419
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM92419 |
| SMILES |
CC=C(CN)N(C)C=NC
|
| InChIKey |
ROEONAQJWKICTE-UHFFFAOYSA-N
|
| MW [Da] |
141.22
Automatically obtained from RDkit software. |
| LogP |
0.44
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM174190
Similarity: 0.7209
Similarity to MM174190
| Tanimoto metric | 0.7209 |
|---|---|
| Cosine metric | 0.8491 |
| Dice metric | 0.8378 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM174980
Similarity: 0.7132
Similarity to MM174980
| Tanimoto metric | 0.7132 |
|---|---|
| Cosine metric | 0.8445 |
| Dice metric | 0.8326 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM92573
Similarity: 0.6744
Similarity to MM92573
| Tanimoto metric | 0.6744 |
|---|---|
| Cosine metric | 0.8212 |
| Dice metric | 0.8056 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+238 more
