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DocumentationIdentifier: MM385971
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM385971 |
| SMILES |
CCC(CCF)CNC=N
|
| InChIKey |
VIHAXRHLDCESIW-UHFFFAOYSA-N
|
| MW [Da] |
146.21
Automatically obtained from RDkit software. |
| LogP |
1.57
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM155749
Similarity: 0.8434
Similarity to MM155749
| Tanimoto metric | 0.8434 |
|---|---|
| Cosine metric | 0.9184 |
| Dice metric | 0.915 |
| MW: | 132.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM362111
Similarity: 0.6863
Similarity to MM362111
| Tanimoto metric | 0.6863 |
|---|---|
| Cosine metric | 0.8144 |
| Dice metric | 0.814 |
| MW: | 146.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM261560
Similarity: 0.6604
Similarity to MM261560
| Tanimoto metric | 0.6604 |
|---|---|
| Cosine metric | 0.7967 |
| Dice metric | 0.7955 |
| MW: | 146.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+396 more
