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DocumentationIdentifier: MM169562
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM169562 |
| SMILES |
C=CCN=CN(C)CC
|
| InChIKey |
MTKOKWRCULNQFN-UHFFFAOYSA-N
|
| MW [Da] |
126.2
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
MM281494
Similarity: 0.8026
Similarity to MM281494
| Tanimoto metric | 0.8026 |
|---|---|
| Cosine metric | 0.8959 |
| Dice metric | 0.8905 |
| MW: | 141.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM114026
Similarity: 0.7541
Similarity to MM114026
| Tanimoto metric | 0.7541 |
|---|---|
| Cosine metric | 0.8684 |
| Dice metric | 0.8598 |
| MW: | 114.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM281716
Similarity: 0.7531
Similarity to MM281716
| Tanimoto metric | 0.7531 |
|---|---|
| Cosine metric | 0.8678 |
| Dice metric | 0.8592 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+353 more
