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DocumentationIdentifier: MM300865
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM300865 |
| SMILES |
CCCCCC(N)C(C)C
|
| InChIKey |
YDQDYRULQZSMES-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
MM161927
Similarity: 0.9
Similarity to MM161927
| Tanimoto metric | 0.9 |
|---|---|
| Cosine metric | 0.9487 |
| Dice metric | 0.9474 |
| MW: | 129.25 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM300867
Similarity: 0.8485
Similarity to MM300867
| Tanimoto metric | 0.8485 |
|---|---|
| Cosine metric | 0.9182 |
| Dice metric | 0.918 |
| MW: | 144.26 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM254470
Similarity: 0.8438
Similarity to MM254470
| Tanimoto metric | 0.8438 |
|---|---|
| Cosine metric | 0.9154 |
| Dice metric | 0.9153 |
| MW: | 143.27 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+429 more
