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DocumentationIdentifier: MM281495
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM281495 |
| SMILES |
C=CCN=CN(C)CCO
|
| InChIKey |
YNYMEBFJUXTSGA-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
0.12
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM281425
Similarity: 0.7586
Similarity to MM281425
| Tanimoto metric | 0.7586 |
|---|---|
| Cosine metric | 0.8642 |
| Dice metric | 0.8627 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM169562
Similarity: 0.7531
Similarity to MM169562
| Tanimoto metric | 0.7531 |
|---|---|
| Cosine metric | 0.8678 |
| Dice metric | 0.8592 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM281424
Similarity: 0.7363
Similarity to MM281424
| Tanimoto metric | 0.7363 |
|---|---|
| Cosine metric | 0.8484 |
| Dice metric | 0.8481 |
| MW: | 145.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+244 more
