MMsINC Database Search


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MMsINC code: MMs02756137

Type: Neutral
Formula: C₁₅H₁₂F₆N₂O₃

SMILES:

FC(F)(F)c1nc(nc(c1)C(F)(F)F)-c1cc(OC)c(OC)c(OC)c1

InChI:

InChI=1/C15H12F6N2O3/c1-24-8-4-7(5-9(25-2)12(8)26-3)13-22-10(14(16,17)18)6-11(23-13)15(19,20)21/h4-6H,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=125.486 kcal/mol

Physical Properties
Molecular Weight: 382.26 g/mol	logS: -5.54348	SlogP: 4.83	Reactive groups: 0

Topological Properties
Globularity: 0.0354502	Sterimol/B1: 2.32544	Sterimol/B2: 2.34884	Sterimol/B3: 3.28625
Sterimol/B4: 9.51239	Sterimol/L: 14.3567

Surface and Volume Properties
Accessible surface: 572.36	Positive charged surface: 311.618	Negative charged surface: 254.771	Volume: 287.875
Hydrophobic surface: 328.569	Hydrophilic surface: 243.791

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 5	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.