MMsINC Database Search


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MMsINC code: MMs00667163

Type: Neutral
Formula: C₂₀H₁₄F₂N₂O₂

SMILES:

Fc1cc(F)ccc1NC(=O)c1cc(NC(=O)c2ccccc2)ccc1

InChI:

InChI=1/C20H14F2N2O2/c21-15-9-10-18(17(22)12-15)24-20(26)14-7-4-8-16(11-14)23-19(25)13-5-2-1-3-6-13/h1-12H,(H,23,25)(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.189 kcal/mol

Physical Properties
Molecular Weight: 352.34 g/mol	logS: -5.91482	SlogP: 4.4694	Reactive groups: 0

Topological Properties
Globularity: 0.011014	Sterimol/B1: 2.50522	Sterimol/B2: 2.96605	Sterimol/B3: 3.40532
Sterimol/B4: 7.511	Sterimol/L: 18.682

Surface and Volume Properties
Accessible surface: 594.769	Positive charged surface: 289.908	Negative charged surface: 304.861	Volume: 313.875
Hydrophobic surface: 522.222	Hydrophilic surface: 72.547

Pharmacophoric Properties
Hydrogen bond donors: 2	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.