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MMsINC code: MMs01495502

Type: Neutral
Formula: C₁₉H₂₀ClNO₄

SMILES:

Clc1ccc(cc1)COc1ccccc1C(=O)NCCCC(OC)=O

InChI:

InChI=1/C19H20ClNO4/c1-24-18(22)7-4-12-21-19(23)16-5-2-3-6-17(16)25-13-14-8-10-15(20)11-9-14/h2-3,5-6,8-11H,4,7,12-13H2,1H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.1365 kcal/mol

Physical Properties
Molecular Weight: 361.825 g/mol	logS: -4.57544	SlogP: 3.8684	Reactive groups: 1

Topological Properties
Globularity: 0.0332802	Sterimol/B1: 3.6167	Sterimol/B2: 3.62032	Sterimol/B3: 5.84749
Sterimol/B4: 8.12455	Sterimol/L: 18.6291

Surface and Volume Properties
Accessible surface: 667.407	Positive charged surface: 404.904	Negative charged surface: 262.502	Volume: 340.375
Hydrophobic surface: 583.927	Hydrophilic surface: 83.48

Pharmacophoric Properties
Hydrogen bond donors: 1	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.