MMsINC Database Search


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MMsINC code: MMs00021149

Type: Neutral
Formula: C₂₀H₁₈O₂

SMILES:

O(Cc1ccccc1)c1ccc(OCc2ccccc2)cc1

InChI:

InChI=1/C20H18O2/c1-3-7-17(8-4-1)15-21-19-11-13-20(14-12-19)22-16-18-9-5-2-6-10-18/h1-14H,15-16H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.6336 kcal/mol

Physical Properties
Molecular Weight: 290.362 g/mol	logS: -5.02144	SlogP: 5.3774	Reactive groups: 0

Topological Properties
Globularity: 0.0352454	Sterimol/B1: 2.90544	Sterimol/B2: 3.6175	Sterimol/B3: 3.61789
Sterimol/B4: 4.33807	Sterimol/L: 20.366

Surface and Volume Properties
Accessible surface: 590.427	Positive charged surface: 331.261	Negative charged surface: 259.166	Volume: 300.125
Hydrophobic surface: 570.786	Hydrophilic surface: 19.641

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.