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MMsINC code: MMs00348350

Type: Neutral
Formula: C₁₆H₂₀ClN₃O₄

SMILES:

Clc1ccc(cc1)CC(=O)NCC(=O)NCC(=O)N1CCOCC1

InChI:

InChI=1/C16H20ClN3O4/c17-13-3-1-12(2-4-13)9-14(21)18-10-15(22)19-11-16(23)20-5-7-24-8-6-20/h1-4H,5-11H2,(H,18,21)(H,19,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.4191 kcal/mol

Physical Properties
Molecular Weight: 353.806 g/mol	logS: -2.8574	SlogP: -0.02633	Reactive groups: 0

Topological Properties
Globularity: 0.0308373	Sterimol/B1: 2.4574	Sterimol/B2: 3.77817	Sterimol/B3: 3.9262
Sterimol/B4: 4.95035	Sterimol/L: 21.4687

Surface and Volume Properties
Accessible surface: 623.751	Positive charged surface: 410.834	Negative charged surface: 212.917	Volume: 320
Hydrophobic surface: 476.891	Hydrophilic surface: 146.86

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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.