MMsINC Database Search


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MMsINC code: MMs02247931

Type: Neutral
Formula: C₁₉H₁₄O₂

SMILES:

Oc1ccc(cc1)-c1ccc(cc1)C(=O)c1ccccc1

InChI:

InChI=1/C19H14O2/c20-18-12-10-15(11-13-18)14-6-8-17(9-7-14)19(21)16-4-2-1-3-5-16/h1-13,20H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=108.596 kcal/mol

Physical Properties
Molecular Weight: 274.319 g/mol	logS: -5.52212	SlogP: 4.2902	Reactive groups: 0

Topological Properties
Globularity: 0.014494	Sterimol/B1: 2.68694	Sterimol/B2: 2.71733	Sterimol/B3: 2.74058
Sterimol/B4: 6.10199	Sterimol/L: 16.9593

Surface and Volume Properties
Accessible surface: 504.742	Positive charged surface: 255.579	Negative charged surface: 239.162	Volume: 271.625
Hydrophobic surface: 417.705	Hydrophilic surface: 87.037

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.