MMsINC Database Search


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MMsINC code: MMs02314474

Type: Neutral
Formula: C₂₀H₁₆O₂

SMILES:

OC(C(=O)c1ccccc1)(c1ccccc1)c1ccccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=113.577 kcal/mol

Physical Properties
Molecular Weight: 288.346 g/mol	logS: -5.02305	SlogP: 4.1169	Reactive groups: 0

Topological Properties
Globularity: 0.238877	Sterimol/B1: 3.17631	Sterimol/B2: 3.54324	Sterimol/B3: 4.01553
Sterimol/B4: 7.52657	Sterimol/L: 14.0549

Surface and Volume Properties
Accessible surface: 510.138	Positive charged surface: 276.202	Negative charged surface: 233.936	Volume: 292
Hydrophobic surface: 474.496	Hydrophilic surface: 35.642

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.