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MMsINC code: MMs03494390

Type: Neutral
Formula: C₁₉H₂₀ClN₃O₂

SMILES:

Clc1cc2nc3c(cc(OC)cc3)c(NCCCCC(=O)N)c2cc1

InChI:

InChI=1/C19H20ClN3O2/c1-25-13-6-8-16-15(11-13)19(22-9-3-2-4-18(21)24)14-7-5-12(20)10-17(14)23-16/h5-8,10-11H,2-4,9H2,1H3,(H2,21,24)(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=115.814 kcal/mol

Physical Properties
Molecular Weight: 357.841 g/mol	logS: -4.96525	SlogP: 4.1175	Reactive groups: 0

Topological Properties
Globularity: 0.0476264	Sterimol/B1: 2.48251	Sterimol/B2: 3.03367	Sterimol/B3: 3.83668
Sterimol/B4: 13.2289	Sterimol/L: 15.8271

Surface and Volume Properties
Accessible surface: 625.546	Positive charged surface: 384.8	Negative charged surface: 230.679	Volume: 335.375
Hydrophobic surface: 460.047	Hydrophilic surface: 165.499

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: no related molecules available.