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MMsINC code: MMs02251468

Type: Neutral
Formula: C₂₂H₂₀O₂

SMILES:

O1CCOC(C1(c1ccccc1)c1ccccc1)c1ccccc1

InChI:

InChI=1/C22H20O2/c1-4-10-18(11-5-1)21-22(24-17-16-23-21,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21H,16-17H2/t21-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=181.671 kcal/mol

Physical Properties
Molecular Weight: 316.4 g/mol	logS: -5.32836	SlogP: 5.1253	Reactive groups: 0

Topological Properties
Globularity: 0.524048	Sterimol/B1: 2.53463	Sterimol/B2: 2.99527	Sterimol/B3: 6.70693
Sterimol/B4: 8.87531	Sterimol/L: 12.0654

Surface and Volume Properties
Accessible surface: 520.078	Positive charged surface: 338.384	Negative charged surface: 181.694	Volume: 316.375
Hydrophobic surface: 510.047	Hydrophilic surface: 10.031

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

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Ions/Tautomers related molecules: no related molecules available.