MMsINC Database Search


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MMsINC code: MMs00658941

Type: Neutral
Formula: C₂₀H₁₆O₂

SMILES:

O(C(=O)c1ccc(cc1)-c1ccccc1)Cc1ccccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.0148 kcal/mol

Physical Properties
Molecular Weight: 288.346 g/mol	logS: -5.96089	SlogP: 4.977	Reactive groups: 0

Topological Properties
Globularity: 0.0310513	Sterimol/B1: 2.94089	Sterimol/B2: 3.61713	Sterimol/B3: 3.61912
Sterimol/B4: 6.37325	Sterimol/L: 17.9567

Surface and Volume Properties
Accessible surface: 560.3	Positive charged surface: 284.023	Negative charged surface: 265.463	Volume: 295
Hydrophobic surface: 517.673	Hydrophilic surface: 42.627

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.