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MMsINC code: MMs01709830

Type: Neutral
Formula: C₁₉H₁₉ClF₃N₃O₂

SMILES:

Clc1ccc(NC(=O)CN(CC(=O)Nc2ccccc2C(F)(F)F)CC)cc1

InChI:

InChI=1/C19H19ClF3N3O2/c1-2-26(11-17(27)24-14-9-7-13(20)8-10-14)12-18(28)25-16-6-4-3-5-15(16)19(21,22)23/h3-10H,2,11-12H2,1H3,(H,24,27)(H,25,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=134.449 kcal/mol

Physical Properties
Molecular Weight: 413.827 g/mol	logS: -5.59934	SlogP: 4.5694	Reactive groups: 0

Topological Properties
Globularity: 0.0630326	Sterimol/B1: 2.40506	Sterimol/B2: 2.68486	Sterimol/B3: 5.15627
Sterimol/B4: 9.18151	Sterimol/L: 19.1851

Surface and Volume Properties
Accessible surface: 660.849	Positive charged surface: 321.233	Negative charged surface: 339.617	Volume: 356.25
Hydrophobic surface: 486.552	Hydrophilic surface: 174.297

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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

MMs01709831
ENAMINE-ZINC06881486