MMsINC Database Search


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MMsINC code: MMs01284039

Type: Neutral
Formula: C₂₀H₁₆O₂

SMILES:

O(CC(=O)c1ccccc1)c1ccc(cc1)-c1ccccc1

InChI:

InChI=1/C20H16O2/c21-20(18-9-5-2-6-10-18)15-22-19-13-11-17(12-14-19)16-7-3-1-4-8-16/h1-14H,15H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.3553 kcal/mol

Physical Properties
Molecular Weight: 288.346 g/mol	logS: -5.96089	SlogP: 4.6153	Reactive groups: 0

Topological Properties
Globularity: 0.00180879	Sterimol/B1: 2.37371	Sterimol/B2: 2.37638	Sterimol/B3: 3.47676
Sterimol/B4: 5.57671	Sterimol/L: 18.9445

Surface and Volume Properties
Accessible surface: 556.398	Positive charged surface: 273.004	Negative charged surface: 272.323	Volume: 294.25
Hydrophobic surface: 513.084	Hydrophilic surface: 43.314

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.