MMsINC Database Search


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MMsINC code: MMs00021729

Type: Neutral
Formula: C₁₉H₁₄O₂

SMILES:

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

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.4054 kcal/mol

Physical Properties
Molecular Weight: 274.319 g/mol	logS: -5.2404	SlogP: 4.7099	Reactive groups: 0

Topological Properties
Globularity: 0.0659616	Sterimol/B1: 3.00782	Sterimol/B2: 3.12092	Sterimol/B3: 4.38212
Sterimol/B4: 5.356	Sterimol/L: 16.5031

Surface and Volume Properties
Accessible surface: 513.323	Positive charged surface: 273.044	Negative charged surface: 240.279	Volume: 274.875
Hydrophobic surface: 477.974	Hydrophilic surface: 35.349

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.