MMsINC Database Search


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MMsINC code: MMs02720656

Type: Neutral
Formula: C₁₉H₂₂F₆N₂O

SMILES:

FC(F)(F)C(NC(=O)N(CC1CCC=CC1)Cc1ccccc1)(C(F)(F)F)C

InChI:

InChI=1/C19H22F6N2O/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/h2-6,8-9,15H,7,10-13H2,1H3,(H,26,28)/t15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.3807 kcal/mol

Physical Properties
Molecular Weight: 408.386 g/mol	logS: -4.76948	SlogP: 6.544	Reactive groups: 0

Topological Properties
Globularity: 0.138951	Sterimol/B1: 2.54984	Sterimol/B2: 3.404	Sterimol/B3: 5.20055
Sterimol/B4: 8.74983	Sterimol/L: 14.493

Surface and Volume Properties
Accessible surface: 581.74	Positive charged surface: 296.165	Negative charged surface: 285.575	Volume: 344.625
Hydrophobic surface: 377.513	Hydrophilic surface: 204.227

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.