MMsINC Database Search


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MMsINC code: MMs03292750

Type: Neutral
Formula: C₁₀H₆F₆N₂O₂

SMILES:

FC(F)(F)C(=O)Nc1cc(NC(=O)C(F)(F)F)ccc1

InChI:

InChI=1/C10H6F6N2O2/c11-9(12,13)7(19)17-5-2-1-3-6(4-5)18-8(20)10(14,15)16/h1-4H,(H,17,19)(H,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=120.794 kcal/mol

Physical Properties
Molecular Weight: 300.158 g/mol	logS: -3.95504	SlogP: 3.528	Reactive groups: 0

Topological Properties
Globularity: 0.0366513	Sterimol/B1: 2.53429	Sterimol/B2: 2.60693	Sterimol/B3: 2.77269
Sterimol/B4: 6.79703	Sterimol/L: 13.6504

Surface and Volume Properties
Accessible surface: 446.616	Positive charged surface: 130.883	Negative charged surface: 315.733	Volume: 204.875
Hydrophobic surface: 132.087	Hydrophilic surface: 314.529

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.