MMsINC Database Search


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MMsINC code: MMs03006338

Type: Neutral
Formula: C₁₆H₁₄F₃NO

SMILES:

FC(F)(F)C(=O)N(Cc1ccccc1)Cc1ccccc1

InChI:

InChI=1/C16H14F3NO/c17-16(18,19)15(21)20(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10H,11-12H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.7124 kcal/mol

Physical Properties
Molecular Weight: 293.288 g/mol	logS: -4.27591	SlogP: 4.7304	Reactive groups: 0

Topological Properties
Globularity: 0.0946317	Sterimol/B1: 3.11563	Sterimol/B2: 3.25476	Sterimol/B3: 3.66225
Sterimol/B4: 7.28577	Sterimol/L: 13.9838

Surface and Volume Properties
Accessible surface: 478.779	Positive charged surface: 221.876	Negative charged surface: 256.903	Volume: 264.125
Hydrophobic surface: 354.824	Hydrophilic surface: 123.955

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.