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DocumentationIdentifier: MM156402
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM156402 |
| SMILES |
C=CNC(=N)CCOC
|
| InChIKey |
PIPHKVFXRDPQRJ-UHFFFAOYSA-N
|
| MW [Da] |
128.18
Automatically obtained from RDkit software. |
| LogP |
0.73
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM107366
Similarity: 0.8118
Similarity to MM107366
| Tanimoto metric | 0.8118 |
|---|---|
| Cosine metric | 0.901 |
| Dice metric | 0.8961 |
| MW: | 114.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM173306
Similarity: 0.6339
Similarity to MM173306
| Tanimoto metric | 0.6339 |
|---|---|
| Cosine metric | 0.7779 |
| Dice metric | 0.776 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM293020
Similarity: 0.6159
Similarity to MM293020
| Tanimoto metric | 0.6159 |
|---|---|
| Cosine metric | 0.7848 |
| Dice metric | 0.7623 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+537 more
