MMsINC Database Search


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MMsINC code: MMs03251500

Type: Neutral
Formula: C₁₆H₁₃F₃N₂O₂

SMILES:

FC(F)(F)c1ccccc1NC(=O)c1ccccc1NC(=O)C

InChI:

InChI=1/C16H13F3N2O2/c1-10(22)20-13-8-4-2-6-11(13)15(23)21-14-9-5-3-7-12(14)16(17,18)19/h2-9H,1H3,(H,20,22)(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.2349 kcal/mol

Physical Properties
Molecular Weight: 322.286 g/mol	logS: -4.62087	SlogP: 4.2276	Reactive groups: 0

Topological Properties
Globularity: 0.0368936	Sterimol/B1: 1.969	Sterimol/B2: 2.7648	Sterimol/B3: 3.40291
Sterimol/B4: 8.75033	Sterimol/L: 13.4485

Surface and Volume Properties
Accessible surface: 517.58	Positive charged surface: 241.916	Negative charged surface: 275.664	Volume: 274.375
Hydrophobic surface: 367.627	Hydrophilic surface: 149.953

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.