MMsINC Database Search


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MMsINC code: MMs01085345

Type: Neutral
Formula: C₁₉H₁₈F₆N₂O

SMILES:

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

InChI:

InChI=1/C19H18F6N2O/c1-17(18(20,21)22,19(23,24)25)26-16(28)27(12-14-8-4-2-5-9-14)13-15-10-6-3-7-11-15/h2-11H,12-13H2,1H3,(H,26,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.938 kcal/mol

Physical Properties
Molecular Weight: 404.354 g/mol	logS: -5.52733	SlogP: 6.6543	Reactive groups: 0

Topological Properties
Globularity: 0.131445	Sterimol/B1: 2.20363	Sterimol/B2: 3.92521	Sterimol/B3: 5.21185
Sterimol/B4: 9.11088	Sterimol/L: 13.6641

Surface and Volume Properties
Accessible surface: 571.616	Positive charged surface: 253.52	Negative charged surface: 318.095	Volume: 335.25
Hydrophobic surface: 386.401	Hydrophilic surface: 185.215

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.