MMsINC Database Search


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MMsINC code: MMs02270462

Type: Neutral
Formula: C₁₉H₁₁F₂NO₂

SMILES:

Fc1ccc(cc1)C(=O)c1nc(ccc1)C(=O)c1ccc(F)cc1

InChI:

InChI=1/C19H11F2NO2/c20-14-8-4-12(5-9-14)18(23)16-2-1-3-17(22-16)19(24)13-6-10-15(21)11-7-13/h1-11H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=116.323 kcal/mol

Physical Properties
Molecular Weight: 323.298 g/mol	logS: -5.16816	SlogP: 3.8218	Reactive groups: 0

Topological Properties
Globularity: 0.103541	Sterimol/B1: 2.5106	Sterimol/B2: 4.2229	Sterimol/B3: 4.31832
Sterimol/B4: 9.2425	Sterimol/L: 13.925

Surface and Volume Properties
Accessible surface: 535.952	Positive charged surface: 238.496	Negative charged surface: 297.456	Volume: 285.25
Hydrophobic surface: 456.457	Hydrophilic surface: 79.495

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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.