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DocumentationIdentifier: MM365383
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM365383 |
| SMILES |
C#CCCCCC(=N)NC
|
| InChIKey |
JPNMSHHLYNVECC-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
1.38
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM166341
Similarity: 0.8293
Similarity to MM166341
| Tanimoto metric | 0.8293 |
|---|---|
| Cosine metric | 0.9106 |
| Dice metric | 0.9067 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM364432
Similarity: 0.7727
Similarity to MM364432
| Tanimoto metric | 0.7727 |
|---|---|
| Cosine metric | 0.8729 |
| Dice metric | 0.8718 |
| MW: | 142.25 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM166768
Similarity: 0.764
Similarity to MM166768
| Tanimoto metric | 0.764 |
|---|---|
| Cosine metric | 0.8671 |
| Dice metric | 0.8662 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+719 more
