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DocumentationIdentifier: MM305877
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM305877 |
| SMILES |
C=C(C)C(N)C=CCCC
|
| InChIKey |
UBMSDNRSSNEREB-UHFFFAOYSA-N
|
| MW [Da] |
139.24
Automatically obtained from RDkit software. |
| LogP |
2.25
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM163203
Similarity: 0.9176
Similarity to MM163203
| Tanimoto metric | 0.9176 |
|---|---|
| Cosine metric | 0.9579 |
| Dice metric | 0.9571 |
| MW: | 125.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM305879
Similarity: 0.8316
Similarity to MM305879
| Tanimoto metric | 0.8316 |
|---|---|
| Cosine metric | 0.9083 |
| Dice metric | 0.908 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM80987
Similarity: 0.802
Similarity to MM80987
| Tanimoto metric | 0.802 |
|---|---|
| Cosine metric | 0.8921 |
| Dice metric | 0.8901 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+686 more
