MMsINC Database Search


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MMsINC code: MMs01743451

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-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.185 kcal/mol

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

Topological Properties
Globularity: 0.18565	Sterimol/B1: 2.13204	Sterimol/B2: 3.93561	Sterimol/B3: 4.12668
Sterimol/B4: 9.04548	Sterimol/L: 14.1705

Surface and Volume Properties
Accessible surface: 545.173	Positive charged surface: 218.515	Negative charged surface: 326.658	Volume: 279.5
Hydrophobic surface: 346.144	Hydrophilic surface: 199.029

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

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Ions/Tautomers related molecules: no related molecules available.