MMsINC Database Search


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MMsINC code: MMs02362868

Type: Neutral
Formula: C₁₅H₁₃F₃N₂O

SMILES:

FC(F)(F)c1cc(NC(=O)NCc2ccccc2)ccc1

InChI:

InChI=1/C15H13F3N2O/c16-15(17,18)12-7-4-8-13(9-12)20-14(21)19-10-11-5-2-1-3-6-11/h1-9H,10H2,(H2,19,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=44.6854 kcal/mol

Physical Properties
Molecular Weight: 294.276 g/mol	logS: -4.25264	SlogP: 4.605	Reactive groups: 0

Topological Properties
Globularity: 0.0406716	Sterimol/B1: 3.07117	Sterimol/B2: 3.29793	Sterimol/B3: 3.72088
Sterimol/B4: 5.06303	Sterimol/L: 16.9848

Surface and Volume Properties
Accessible surface: 524.016	Positive charged surface: 249.781	Negative charged surface: 274.235	Volume: 258.375
Hydrophobic surface: 350.769	Hydrophilic surface: 173.247

Pharmacophoric Properties
Hydrogen bond donors: 2	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.