MMsINC Database Search


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MMsINC code: MMs02220745

Type: Neutral
Formula: C₂₅H₁₄F₆N₂

SMILES:

FC(F)(F)c1c2n(nc1C(F)(F)F)-c1c(cccc1)C(=C2c1ccccc1)c1ccccc1

InChI:

InChI=1/C25H14F6N2/c26-24(27,28)21-22-20(16-11-5-2-6-12-16)19(15-9-3-1-4-10-15)17-13-7-8-14-18(17)33(22)32-23(21)25(29,30)31/h1-14H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=148.733 kcal/mol

Physical Properties
Molecular Weight: 456.389 g/mol	logS: -8.11449	SlogP: 7.48828	Reactive groups: 0

Topological Properties
Globularity: 0.120009	Sterimol/B1: 3.55742	Sterimol/B2: 3.60506	Sterimol/B3: 6.80061
Sterimol/B4: 7.26796	Sterimol/L: 15.084

Surface and Volume Properties
Accessible surface: 610.267	Positive charged surface: 271.786	Negative charged surface: 338.48	Volume: 376
Hydrophobic surface: 448.476	Hydrophilic surface: 161.791

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 0

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Ions/Tautomers related molecules: no related molecules available.