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DocumentationIdentifier: MM382054
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM382054 |
| SMILES |
CCC=C(C=O)CCOC
|
| InChIKey |
PYGXRNTZZJBURT-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
1.56
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM382383
Similarity: 0.7719
Similarity to MM382383
| Tanimoto metric | 0.7719 |
|---|---|
| Cosine metric | 0.8713 |
| Dice metric | 0.8713 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM397463
Similarity: 0.7544
Similarity to MM397463
| Tanimoto metric | 0.7544 |
|---|---|
| Cosine metric | 0.86 |
| Dice metric | 0.86 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM413386
Similarity: 0.7304
Similarity to MM413386
| Tanimoto metric | 0.7304 |
|---|---|
| Cosine metric | 0.8443 |
| Dice metric | 0.8442 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+495 more
