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DocumentationIdentifier: MM196852
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM196852 |
| SMILES |
CCN(C)C(CN)CO
|
| InChIKey |
YRZIASJTGUAEFG-UHFFFAOYSA-N
|
| MW [Da] |
132.21
Automatically obtained from RDkit software. |
| LogP |
-0.74
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM400522
Similarity: 0.9239
Similarity to MM400522
| Tanimoto metric | 0.9239 |
|---|---|
| Cosine metric | 0.9612 |
| Dice metric | 0.9605 |
| MW: | 146.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM406535
Similarity: 0.8416
Similarity to MM406535
| Tanimoto metric | 0.8416 |
|---|---|
| Cosine metric | 0.9174 |
| Dice metric | 0.914 |
| MW: | 147.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM66468
Similarity: 0.7456
Similarity to MM66468
| Tanimoto metric | 0.7456 |
|---|---|
| Cosine metric | 0.8635 |
| Dice metric | 0.8543 |
| MW: | 146.23 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+372 more
