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DocumentationIdentifier: MM154114
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM154114 |
| SMILES |
N=C(N)C=CCCCN
|
| InChIKey |
DRVDHZVIYAOJJK-UHFFFAOYSA-N
|
| MW [Da] |
127.19
Automatically obtained from RDkit software. |
| LogP |
0.22
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM106283
Similarity: 0.8438
Similarity to MM106283
| Tanimoto metric | 0.8438 |
|---|---|
| Cosine metric | 0.9186 |
| Dice metric | 0.9153 |
| MW: | 112.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM154164
Similarity: 0.7714
Similarity to MM154164
| Tanimoto metric | 0.7714 |
|---|---|
| Cosine metric | 0.8714 |
| Dice metric | 0.871 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM364045
Similarity: 0.7529
Similarity to MM364045
| Tanimoto metric | 0.7529 |
|---|---|
| Cosine metric | 0.8677 |
| Dice metric | 0.8591 |
| MW: | 141.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+300 more
