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DocumentationIdentifier: MM424746
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM424746 |
| SMILES |
CCC(NC)C1NC1CC
|
| InChIKey |
FWDFLHOKMZQQPC-UHFFFAOYSA-N
|
| MW [Da] |
142.25
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
MM210565
Similarity: 0.8554
Similarity to MM210565
| Tanimoto metric | 0.8554 |
|---|---|
| Cosine metric | 0.9249 |
| Dice metric | 0.9221 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM442785
Similarity: 0.8022
Similarity to MM442785
| Tanimoto metric | 0.8022 |
|---|---|
| Cosine metric | 0.8903 |
| Dice metric | 0.8902 |
| MW: | 142.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM424765
Similarity: 0.7577
Similarity to MM424765
| Tanimoto metric | 0.7577 |
|---|---|
| Cosine metric | 0.8625 |
| Dice metric | 0.8622 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+265 more
