MMsINC Database Search


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MMsINC code: MMs01736650

Type: Neutral
Formula: C₂₂H₁₄FNO₂

SMILES:

Fc1ccc(OC(=O)c2cc(nc3c2cccc3)-c2ccccc2)cc1

InChI:

InChI=1/C22H14FNO2/c23-16-10-12-17(13-11-16)26-22(25)19-14-21(15-6-2-1-3-7-15)24-20-9-5-4-8-18(19)20/h1-14H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=112.677 kcal/mol

Physical Properties
Molecular Weight: 343.357 g/mol	logS: -6.77764	SlogP: 5.2601	Reactive groups: 0

Topological Properties
Globularity: 0.0389214	Sterimol/B1: 2.80281	Sterimol/B2: 3.50877	Sterimol/B3: 3.59635
Sterimol/B4: 10.3064	Sterimol/L: 16.925

Surface and Volume Properties
Accessible surface: 600.55	Positive charged surface: 291.372	Negative charged surface: 298.107	Volume: 321.625
Hydrophobic surface: 557.759	Hydrophilic surface: 42.791

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.