MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs01743452

Type: Neutral
Formula: C₁₆H₁₂F₄N₂O₂

SMILES:

Fc1cc(ccc1)C(NC(=O)NC(=O)C(F)(F)F)c1ccccc1

InChI:

InChI=1/C16H12F4N2O2/c17-12-8-4-7-11(9-12)13(10-5-2-1-3-6-10)21-15(24)22-14(23)16(18,19)20/h1-9,13H,(H2,21,22,23,24)/t13-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.1119 kcal/mol

Physical Properties
Molecular Weight: 340.276 g/mol	logS: -4.90541	SlogP: 3.8186	Reactive groups: 0

Topological Properties
Globularity: 0.185584	Sterimol/B1: 2.13874	Sterimol/B2: 3.93299	Sterimol/B3: 4.12835
Sterimol/B4: 9.04094	Sterimol/L: 14.1679

Surface and Volume Properties
Accessible surface: 543.783	Positive charged surface: 219.274	Negative charged surface: 324.509	Volume: 279.625
Hydrophobic surface: 344.576	Hydrophilic surface: 199.207

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.