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DocumentationIdentifier: MM295568
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM295568 |
| SMILES |
C=C(C)C(C)=CC=COC
|
| InChIKey |
DEOCDZHWXJTWMJ-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
2.67
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM405374
Similarity: 0.8
Similarity to MM405374
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8893 |
| Dice metric | 0.8889 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM171435
Similarity: 0.7159
Similarity to MM171435
| Tanimoto metric | 0.7159 |
|---|---|
| Cosine metric | 0.8461 |
| Dice metric | 0.8344 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM154412
Similarity: 0.6591
Similarity to MM154412
| Tanimoto metric | 0.6591 |
|---|---|
| Cosine metric | 0.8118 |
| Dice metric | 0.7945 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+253 more
