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DocumentationIdentifier: MM454622
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM454622 |
| SMILES |
COc1ccc(CN)cc1
|
| InChIKey |
IDPURXSQCKYKIJ-UHFFFAOYSA-N
|
| MW [Da] |
137.18
Automatically obtained from RDkit software. |
| LogP |
1.15
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM454620
Similarity: 0.6488
Similarity to MM454620
| Tanimoto metric | 0.6488 |
|---|---|
| Cosine metric | 0.787 |
| Dice metric | 0.787 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM454706
Similarity: 0.6429
Similarity to MM454706
| Tanimoto metric | 0.6429 |
|---|---|
| Cosine metric | 0.7826 |
| Dice metric | 0.7826 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM454624
Similarity: 0.631
Similarity to MM454624
| Tanimoto metric | 0.631 |
|---|---|
| Cosine metric | 0.7738 |
| Dice metric | 0.7737 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+31 more
