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DocumentationIdentifier: MM451144
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM451144 |
| SMILES |
CCCNCC=CCNC
|
| InChIKey |
GQDLJZFYUHPLKF-UHFFFAOYSA-N
|
| MW [Da] |
142.25
Automatically obtained from RDkit software. |
| LogP |
0.76
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM213571
Similarity: 0.9583
Similarity to MM213571
| Tanimoto metric | 0.9583 |
|---|---|
| Cosine metric | 0.9789 |
| Dice metric | 0.9787 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM125796
Similarity: 0.8333
Similarity to MM125796
| Tanimoto metric | 0.8333 |
|---|---|
| Cosine metric | 0.9129 |
| Dice metric | 0.9091 |
| MW: | 113.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM448308
Similarity: 0.7931
Similarity to MM448308
| Tanimoto metric | 0.7931 |
|---|---|
| Cosine metric | 0.8872 |
| Dice metric | 0.8846 |
| MW: | 142.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+641 more
