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DocumentationIdentifier: MM250470
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM250470 |
| SMILES |
CCCC(N)CCC(C)O
|
| InChIKey |
VQFNKARVQYUDPW-UHFFFAOYSA-N
|
| MW [Da] |
145.25
Automatically obtained from RDkit software. |
| LogP |
1.27
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM143992
Similarity: 0.9437
Similarity to MM143992
| Tanimoto metric | 0.9437 |
|---|---|
| Cosine metric | 0.9714 |
| Dice metric | 0.971 |
| MW: | 131.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM315231
Similarity: 0.8313
Similarity to MM315231
| Tanimoto metric | 0.8313 |
|---|---|
| Cosine metric | 0.9099 |
| Dice metric | 0.9079 |
| MW: | 145.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM84468
Similarity: 0.7931
Similarity to MM84468
| Tanimoto metric | 0.7931 |
|---|---|
| Cosine metric | 0.8882 |
| Dice metric | 0.8846 |
| MW: | 147.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+516 more
