MMsINC Database Search


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MMsINC code: MMs02158297

Type: Neutral
Formula: C₂₀H₁₆F₆N₂

SMILES:

FC(F)(F)c1c2c(nc(nc2-c2ccc(cc2)C(F)(F)F)C(C)(C)C)ccc1

InChI:

InChI=1/C20H16F6N2/c1-18(2,3)17-27-14-6-4-5-13(20(24,25)26)15(14)16(28-17)11-7-9-12(10-8-11)19(21,22)23/h4-10H,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=167.079 kcal/mol

Physical Properties
Molecular Weight: 398.35 g/mol	logS: -7.2403	SlogP: 7.2549	Reactive groups: 0

Topological Properties
Globularity: 0.104305	Sterimol/B1: 3.62661	Sterimol/B2: 3.6306	Sterimol/B3: 4.21572
Sterimol/B4: 7.29442	Sterimol/L: 14.6116

Surface and Volume Properties
Accessible surface: 570.091	Positive charged surface: 272.819	Negative charged surface: 292.681	Volume: 321.5
Hydrophobic surface: 350.136	Hydrophilic surface: 219.955

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.