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MMsINC code: MMs03804584

Type: Neutral
Formula: C₂₃H₁₈O₃

SMILES:

OC(=O)\C(=C(/C(=O)c1ccccc1)\Cc1ccccc1)\c1ccccc1

InChI:

InChI=1/C23H18O3/c24-22(19-14-8-3-9-15-19)20(16-17-10-4-1-5-11-17)21(23(25)26)18-12-6-2-7-13-18/h1-15H,16H2,(H,25,26)/b21-20+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=114.939 kcal/mol

Physical Properties
Molecular Weight: 342.394 g/mol	logS: -5.8079	SlogP: 4.65037	Reactive groups: 1

Topological Properties
Globularity: 0.234171	Sterimol/B1: 2.74647	Sterimol/B2: 4.21682	Sterimol/B3: 5.45372
Sterimol/B4: 7.58774	Sterimol/L: 13.3253

Surface and Volume Properties
Accessible surface: 584.371	Positive charged surface: 323.716	Negative charged surface: 260.654	Volume: 338.875
Hydrophobic surface: 502.049	Hydrophilic surface: 82.322

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs03804585
PUBCHEM-ZINC06574852