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MMsINC code: MMs01534686

Type: Neutral
Formula: C₁₄H₁₉F₃N₂

SMILES:

FC(F)(F)CNC1CCN(CC1)Cc1ccccc1

InChI:

InChI=1/C14H19F3N2/c15-14(16,17)11-18-13-6-8-19(9-7-13)10-12-4-2-1-3-5-12/h1-5,13,18H,6-11H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.1387 kcal/mol

Physical Properties
Molecular Weight: 272.314 g/mol	logS: -2.65864	SlogP: 3.4892	Reactive groups: 0

Topological Properties
Globularity: 0.0919763	Sterimol/B1: 2.51032	Sterimol/B2: 3.20432	Sterimol/B3: 3.97152
Sterimol/B4: 6.04121	Sterimol/L: 14.9235

Surface and Volume Properties
Accessible surface: 500.273	Positive charged surface: 295.414	Negative charged surface: 204.859	Volume: 255.5
Hydrophobic surface: 373.926	Hydrophilic surface: 126.347

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

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Ions/Tautomers related molecules

MMs01534687
ENAMINE-ZINC04207064