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DocumentationIdentifier: MM408468
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM408468 |
| SMILES |
C#CCC(=N)N(CC)CC
|
| InChIKey |
BAGVDPISZGAKDZ-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
1.33
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM354356
Similarity: 0.7826
Similarity to MM354356
| Tanimoto metric | 0.7826 |
|---|---|
| Cosine metric | 0.8789 |
| Dice metric | 0.878 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM293807
Similarity: 0.7627
Similarity to MM293807
| Tanimoto metric | 0.7627 |
|---|---|
| Cosine metric | 0.8668 |
| Dice metric | 0.8654 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM293669
Similarity: 0.7222
Similarity to MM293669
| Tanimoto metric | 0.7222 |
|---|---|
| Cosine metric | 0.8427 |
| Dice metric | 0.8387 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+247 more
