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MMsINC code: MMs00797529

Type: Neutral
Formula: C₁₄H₁₄F₃N₂+

SMILES:

FC(F)(F)c1ccc([nH+]c1)NC(C)c1ccccc1

InChI:

InChI=1/C14H13F3N2/c1-10(11-5-3-2-4-6-11)19-13-8-7-12(9-18-13)14(15,16)17/h2-10H,1H3,(H,18,19)/p+1/t10-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=44.5853 kcal/mol

Physical Properties
Molecular Weight: 267.274 g/mol	logS: -3.36173	SlogP: 4.0996	Reactive groups: 0

Topological Properties
Globularity: 0.0944968	Sterimol/B1: 2.03905	Sterimol/B2: 3.21973	Sterimol/B3: 3.39635
Sterimol/B4: 6.25121	Sterimol/L: 14.9373

Surface and Volume Properties
Accessible surface: 484.616	Positive charged surface: 253.459	Negative charged surface: 231.157	Volume: 244
Hydrophobic surface: 307.971	Hydrophilic surface: 176.645

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	Acid groups: 0	Basic groups: 2
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

MMs00797530
CHEMBRIDGE-ZINC04840053