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DocumentationIdentifier: MM194629
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM194629 |
| SMILES |
CNCC1NC1CCN
|
| InChIKey |
WYRLPTUJVYKEEV-UHFFFAOYSA-N
|
| MW [Da] |
129.21
Automatically obtained from RDkit software. |
| LogP |
-1.11
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM127587
Similarity: 0.8692
Similarity to MM127587
| Tanimoto metric | 0.8692 |
|---|---|
| Cosine metric | 0.9323 |
| Dice metric | 0.93 |
| MW: | 114.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM127580
Similarity: 0.785
Similarity to MM127580
| Tanimoto metric | 0.785 |
|---|---|
| Cosine metric | 0.886 |
| Dice metric | 0.8796 |
| MW: | 115.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM440003
Similarity: 0.781
Similarity to MM440003
| Tanimoto metric | 0.781 |
|---|---|
| Cosine metric | 0.8838 |
| Dice metric | 0.877 |
| MW: | 142.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+307 more
