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DocumentationIdentifier: MM430866
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM430866 |
| SMILES |
C=CC(C=CC=CC)=CC
|
| InChIKey |
PUVSVPXLGNKGGB-UHFFFAOYSA-N
|
| MW [Da] |
134.22
Automatically obtained from RDkit software. |
| LogP |
3.25
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: 0.9091
Similarity to MM379386
| Tanimoto metric | 0.9091 |
|---|---|
| Cosine metric | 0.9525 |
| Dice metric | 0.9524 |
| MW: | 134.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM201073
Similarity: 0.875
Similarity to MM201073
| Tanimoto metric | 0.875 |
|---|---|
| Cosine metric | 0.9354 |
| Dice metric | 0.9333 |
| MW: | 120.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM170224
Similarity: 0.7813
Similarity to MM170224
| Tanimoto metric | 0.7813 |
|---|---|
| Cosine metric | 0.8839 |
| Dice metric | 0.8772 |
| MW: | 120.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+182 more
