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DocumentationIdentifier: MM366356
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM366356 |
| SMILES |
C=CC=CC=CC(=C)C=O
|
| InChIKey |
YCSJIDRPXFJPDU-UHFFFAOYSA-N
|
| MW [Da] |
134.18
Automatically obtained from RDkit software. |
| LogP |
2.04
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM366308
Similarity: 0.9403
Similarity to MM366308
| Tanimoto metric | 0.9403 |
|---|---|
| Cosine metric | 0.9692 |
| Dice metric | 0.9692 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM170226
Similarity: 0.9385
Similarity to MM170226
| Tanimoto metric | 0.9385 |
|---|---|
| Cosine metric | 0.9687 |
| Dice metric | 0.9683 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM366360
Similarity: 0.8356
Similarity to MM366360
| Tanimoto metric | 0.8356 |
|---|---|
| Cosine metric | 0.9109 |
| Dice metric | 0.9104 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+211 more
