MMsINC Database Search


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MMsINC code: MMs01743474

Type: Neutral
Formula: C₁₆H₁₃F₃N₂O₂

SMILES:

FC(F)(F)C(=O)NC(=O)NC(c1ccccc1)c1ccccc1

InChI:

InChI=1/C16H13F3N2O2/c17-16(18,19)14(22)21-15(23)20-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,(H2,20,21,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.5749 kcal/mol

Physical Properties
Molecular Weight: 322.286 g/mol	logS: -4.61043	SlogP: 3.6795	Reactive groups: 0

Topological Properties
Globularity: 0.181233	Sterimol/B1: 2.48531	Sterimol/B2: 3.40975	Sterimol/B3: 4.41906
Sterimol/B4: 8.68722	Sterimol/L: 14.1684

Surface and Volume Properties
Accessible surface: 539.064	Positive charged surface: 227.814	Negative charged surface: 311.25	Volume: 275.875
Hydrophobic surface: 341.044	Hydrophilic surface: 198.02

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.