MMsINC Database Search


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MMsINC code: MMs02054892

Type: Neutral
Formula: C₂₀H₁₉F₃N₂O₂

SMILES:

FC(F)(F)c1ccccc1C(=O)NC1CC(=O)N(C1)c1cc(C)c(cc1)C

InChI:

InChI=1/C20H19F3N2O2/c1-12-7-8-15(9-13(12)2)25-11-14(10-18(25)26)24-19(27)16-5-3-4-6-17(16)20(21,22)23/h3-9,14H,10-11H2,1-2H3,(H,24,27)/t14-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.1872 kcal/mol

Physical Properties
Molecular Weight: 376.378 g/mol	logS: -5.4566	SlogP: 4.16904	Reactive groups: 0

Topological Properties
Globularity: 0.0790188	Sterimol/B1: 3.39982	Sterimol/B2: 3.9976	Sterimol/B3: 4.90584
Sterimol/B4: 6.2924	Sterimol/L: 17.3562

Surface and Volume Properties
Accessible surface: 609.467	Positive charged surface: 314.484	Negative charged surface: 294.983	Volume: 332.25
Hydrophobic surface: 466.538	Hydrophilic surface: 142.929

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.