MMsINC Database Search


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MMsINC code: MMs02067675

Type: Neutral
Formula: C₁₉H₁₄F₂N₂O₂

SMILES:

Fc1ccc(F)cc1NC(=O)C1=CC=CN(Cc2ccccc2)C1=O

InChI:

InChI=1/C19H14F2N2O2/c20-14-8-9-16(21)17(11-14)22-18(24)15-7-4-10-23(19(15)25)12-13-5-2-1-3-6-13/h1-11H,12H2,(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.9154 kcal/mol

Physical Properties
Molecular Weight: 340.329 g/mol	logS: -4.94823	SlogP: 3.6522	Reactive groups: 0

Topological Properties
Globularity: 0.0470218	Sterimol/B1: 2.13569	Sterimol/B2: 2.80292	Sterimol/B3: 4.82241
Sterimol/B4: 7.9546	Sterimol/L: 16.3589

Surface and Volume Properties
Accessible surface: 559.344	Positive charged surface: 289.457	Negative charged surface: 269.887	Volume: 302.25
Hydrophobic surface: 501.177	Hydrophilic surface: 58.167

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.