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DocumentationIdentifier: MM250463
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM250463 |
| SMILES |
CCCC(C)CCC(C)N
|
| InChIKey |
JHLSRARFRAZKEV-UHFFFAOYSA-N
|
| MW [Da] |
143.27
Automatically obtained from RDkit software. |
| LogP |
2.55
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM143969
Similarity: 0.931
Similarity to MM143969
| Tanimoto metric | 0.931 |
|---|---|
| Cosine metric | 0.9649 |
| Dice metric | 0.9643 |
| MW: | 129.25 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM339665
Similarity: 0.871
Similarity to MM339665
| Tanimoto metric | 0.871 |
|---|---|
| Cosine metric | 0.931 |
| Dice metric | 0.931 |
| MW: | 143.27 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM315160
Similarity: 0.8485
Similarity to MM315160
| Tanimoto metric | 0.8485 |
|---|---|
| Cosine metric | 0.9191 |
| Dice metric | 0.918 |
| MW: | 143.27 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+446 more
