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DocumentationIdentifier: MM253489
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM253489 |
| SMILES |
C=CNC(C)=NCC(C)O
|
| InChIKey |
PGVLZRZZLUKCAC-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
0.52
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM159578
Similarity: 0.7105
Similarity to MM159578
| Tanimoto metric | 0.7105 |
|---|---|
| Cosine metric | 0.8429 |
| Dice metric | 0.8308 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM256025
Similarity: 0.6917
Similarity to MM256025
| Tanimoto metric | 0.6917 |
|---|---|
| Cosine metric | 0.8179 |
| Dice metric | 0.8178 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM341855
Similarity: 0.6643
Similarity to MM341855
| Tanimoto metric | 0.6643 |
|---|---|
| Cosine metric | 0.7985 |
| Dice metric | 0.7983 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+233 more
