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DocumentationIdentifier: MM155879
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM155879 |
| SMILES |
CC(CCCO)NC=N
|
| InChIKey |
NJPILVYSIMCPHL-UHFFFAOYSA-N
|
| MW [Da] |
130.19
Automatically obtained from RDkit software. |
| LogP |
0.34
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM356319
Similarity: 0.8372
Similarity to MM356319
| Tanimoto metric | 0.8372 |
|---|---|
| Cosine metric | 0.915 |
| Dice metric | 0.9114 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM233898
Similarity: 0.7423
Similarity to MM233898
| Tanimoto metric | 0.7423 |
|---|---|
| Cosine metric | 0.8615 |
| Dice metric | 0.8521 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM107212
Similarity: 0.7361
Similarity to MM107212
| Tanimoto metric | 0.7361 |
|---|---|
| Cosine metric | 0.858 |
| Dice metric | 0.848 |
| MW: | 114.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+507 more
