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DocumentationIdentifier: MM402224
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM402224 |
| SMILES |
NCCCNC(CN)CO
|
| InChIKey |
UWALSLUPCQZPQE-UHFFFAOYSA-N
|
| MW [Da] |
147.22
Automatically obtained from RDkit software. |
| LogP |
-1.76
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM339788
Similarity: 0.7553
Similarity to MM339788
| Tanimoto metric | 0.7553 |
|---|---|
| Cosine metric | 0.861 |
| Dice metric | 0.8606 |
| MW: | 146.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM402222
Similarity: 0.7553
Similarity to MM402222
| Tanimoto metric | 0.7553 |
|---|---|
| Cosine metric | 0.861 |
| Dice metric | 0.8606 |
| MW: | 146.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM402226
Similarity: 0.7245
Similarity to MM402226
| Tanimoto metric | 0.7245 |
|---|---|
| Cosine metric | 0.8414 |
| Dice metric | 0.8402 |
| MW: | 150.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+413 more
