MMsINC Database Search


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MMsINC code: MMs03173091

Type: Neutral
Formula: C₁₉H₁₂O₂

SMILES:

o1c2c(cc(cc2)C(=O)c2ccccc2)c2c1cccc2

InChI:

InChI=1/C19H12O2/c20-19(13-6-2-1-3-7-13)14-10-11-18-16(12-14)15-8-4-5-9-17(15)21-18/h1-12H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.4448 kcal/mol

Physical Properties
Molecular Weight: 272.303 g/mol	logS: -6.7497	SlogP: 4.817	Reactive groups: 0

Topological Properties
Globularity: 0.0246093	Sterimol/B1: 2.77993	Sterimol/B2: 2.82969	Sterimol/B3: 2.87399
Sterimol/B4: 7.61261	Sterimol/L: 14.4833

Surface and Volume Properties
Accessible surface: 494.697	Positive charged surface: 248.061	Negative charged surface: 235.052	Volume: 264.625
Hydrophobic surface: 446.627	Hydrophilic surface: 48.07

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.