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DocumentationIdentifier: MM201073
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM201073 |
| SMILES |
C=CC=CC(C=C)=CC
|
| InChIKey |
MEECDUZBWWRYRG-UHFFFAOYSA-N
|
| MW [Da] |
120.2
Automatically obtained from RDkit software. |
| LogP |
2.86
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM379386
Similarity: 0.9032
Similarity to MM379386
| Tanimoto metric | 0.9032 |
|---|---|
| Cosine metric | 0.9504 |
| Dice metric | 0.9492 |
| MW: | 134.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM430866
Similarity: 0.875
Similarity to MM430866
| Tanimoto metric | 0.875 |
|---|---|
| Cosine metric | 0.9354 |
| Dice metric | 0.9333 |
| MW: | 134.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM116648
Similarity: 0.7857
Similarity to MM116648
| Tanimoto metric | 0.7857 |
|---|---|
| Cosine metric | 0.8864 |
| Dice metric | 0.88 |
| MW: | 108.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+182 more
