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DocumentationIdentifier: MM301049
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM301049 |
| SMILES |
CCCCNC(C)C(C)C
|
| InChIKey |
VPUSUQSJGVFMCB-UHFFFAOYSA-N
|
| MW [Da] |
143.27
Automatically obtained from RDkit software. |
| LogP |
2.42
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM161986
Similarity: 0.875
Similarity to MM161986
| Tanimoto metric | 0.875 |
|---|---|
| Cosine metric | 0.9354 |
| Dice metric | 0.9333 |
| MW: | 129.25 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM254518
Similarity: 0.8485
Similarity to MM254518
| Tanimoto metric | 0.8485 |
|---|---|
| Cosine metric | 0.9191 |
| Dice metric | 0.918 |
| MW: | 143.27 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM315322
Similarity: 0.8194
Similarity to MM315322
| Tanimoto metric | 0.8194 |
|---|---|
| Cosine metric | 0.901 |
| Dice metric | 0.9008 |
| MW: | 143.27 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+743 more
