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MMsINC code: MMs02667460

Type: Neutral
Formula: C₂₀H₁₆O₃

SMILES:

Oc1ccc(cc1)C(OC(c1ccccc1)c1ccccc1)=O

InChI:

InChI=1/C20H16O3/c21-18-13-11-17(12-14-18)20(22)23-19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,19,21H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.8117 kcal/mol

Physical Properties
Molecular Weight: 304.345 g/mol	logS: -4.94046	SlogP: 4.4341	Reactive groups: 0

Topological Properties
Globularity: 0.161682	Sterimol/B1: 2.28826	Sterimol/B2: 3.96459	Sterimol/B3: 4.05309
Sterimol/B4: 9.21531	Sterimol/L: 14.4302

Surface and Volume Properties
Accessible surface: 563.104	Positive charged surface: 294.993	Negative charged surface: 268.111	Volume: 299.875
Hydrophobic surface: 481.957	Hydrophilic surface: 81.147

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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: no related molecules available.