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DocumentationIdentifier: MM150468
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM150468 |
| SMILES |
C=C(C)OC(=CC)CC
|
| InChIKey |
RPGGCEHNEWZSAQ-UHFFFAOYSA-N
|
| MW [Da] |
126.2
Automatically obtained from RDkit software. |
| LogP |
2.85
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM333622
Similarity: 0.8969
Similarity to MM333622
| Tanimoto metric | 0.8969 |
|---|---|
| Cosine metric | 0.9471 |
| Dice metric | 0.9457 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM334821
Similarity: 0.8969
Similarity to MM334821
| Tanimoto metric | 0.8969 |
|---|---|
| Cosine metric | 0.9471 |
| Dice metric | 0.9457 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM143144
Similarity: 0.828
Similarity to MM143144
| Tanimoto metric | 0.828 |
|---|---|
| Cosine metric | 0.9061 |
| Dice metric | 0.9059 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+612 more
