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MMsINC code: MMs00697486

Type: Neutral
Formula: C₁₉H₁₉ClF₃NO₂

SMILES:

Clc1ccc(cc1NC(=O)CCCOc1cccc(C)c1C)C(F)(F)F

InChI:

InChI=1/C19H19ClF3NO2/c1-12-5-3-6-17(13(12)2)26-10-4-7-18(25)24-16-11-14(19(21,22)23)8-9-15(16)20/h3,5-6,8-9,11H,4,7,10H2,1-2H3,(H,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.4125 kcal/mol

Physical Properties
Molecular Weight: 385.813 g/mol	logS: -5.94061	SlogP: 6.08484	Reactive groups: 0

Topological Properties
Globularity: 0.0146605	Sterimol/B1: 2.85535	Sterimol/B2: 3.16464	Sterimol/B3: 3.53663
Sterimol/B4: 6.58958	Sterimol/L: 19.2445

Surface and Volume Properties
Accessible surface: 647.888	Positive charged surface: 318.377	Negative charged surface: 329.511	Volume: 338.875
Hydrophobic surface: 508.88	Hydrophilic surface: 139.008

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.