MMsINC Database Search


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MMsINC code: MMs01627421

Type: Neutral
Formula: C₁₆H₁₄F₃NO₂

SMILES:

FC(F)(F)c1ccc(cc1)C(=O)NCc1cc(OC)ccc1

InChI:

InChI=1/C16H14F3NO2/c1-22-14-4-2-3-11(9-14)10-20-15(21)12-5-7-13(8-6-12)16(17,18)19/h2-9H,10H2,1H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.5465 kcal/mol

Physical Properties
Molecular Weight: 309.287 g/mol	logS: -4.40584	SlogP: 4.2219	Reactive groups: 0

Topological Properties
Globularity: 0.062337	Sterimol/B1: 2.38789	Sterimol/B2: 2.72141	Sterimol/B3: 5.24363
Sterimol/B4: 6.27543	Sterimol/L: 16.6198

Surface and Volume Properties
Accessible surface: 539.834	Positive charged surface: 277.267	Negative charged surface: 262.566	Volume: 271.375
Hydrophobic surface: 378.619	Hydrophilic surface: 161.215

Pharmacophoric Properties
Hydrogen bond donors: 1	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.