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DocumentationIdentifier: MM456463
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM456463 |
| SMILES |
CC=CN=CNCCCO
|
| InChIKey |
HNOWKGNYGGIBEG-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
MM288684
Similarity: 0.725
Similarity to MM288684
| Tanimoto metric | 0.725 |
|---|---|
| Cosine metric | 0.8407 |
| Dice metric | 0.8406 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM288514
Similarity: 0.6932
Similarity to MM288514
| Tanimoto metric | 0.6932 |
|---|---|
| Cosine metric | 0.8203 |
| Dice metric | 0.8188 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM456594
Similarity: 0.6905
Similarity to MM456594
| Tanimoto metric | 0.6905 |
|---|---|
| Cosine metric | 0.817 |
| Dice metric | 0.8169 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+392 more
