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DocumentationIdentifier: MM350036
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM350036 |
| SMILES |
C=C(CC)C(N)C(=C)CC
|
| InChIKey |
PYXQBDLZQLGVMY-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
MM160498
Similarity: 0.9348
Similarity to MM160498
| Tanimoto metric | 0.9348 |
|---|---|
| Cosine metric | 0.9668 |
| Dice metric | 0.9663 |
| MW: | 125.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM91167
Similarity: 0.735
Similarity to MM91167
| Tanimoto metric | 0.735 |
|---|---|
| Cosine metric | 0.851 |
| Dice metric | 0.8473 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM350747
Similarity: 0.7156
Similarity to MM350747
| Tanimoto metric | 0.7156 |
|---|---|
| Cosine metric | 0.8343 |
| Dice metric | 0.8342 |
| MW: | 139.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+317 more
