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MMsINC code: MMs01504217

Type: Neutral
Formula: C₁₉H₂₀ClNO₅

SMILES:

Clc1cc(cc(OC)c1OC)C(OCC(=O)NCCc1ccccc1)=O

InChI:

InChI=1/C19H20ClNO5/c1-24-16-11-14(10-15(20)18(16)25-2)19(23)26-12-17(22)21-9-8-13-6-4-3-5-7-13/h3-7,10-11H,8-9,12H2,1-2H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.591 kcal/mol

Physical Properties
Molecular Weight: 377.824 g/mol	logS: -4.6036	SlogP: 2.87287	Reactive groups: 0

Topological Properties
Globularity: 0.0231448	Sterimol/B1: 1.99368	Sterimol/B2: 3.66166	Sterimol/B3: 3.68333
Sterimol/B4: 7.76194	Sterimol/L: 20.8276

Surface and Volume Properties
Accessible surface: 676.685	Positive charged surface: 435.16	Negative charged surface: 241.525	Volume: 350.75
Hydrophobic surface: 571.261	Hydrophilic surface: 105.424

Pharmacophoric Properties
Hydrogen bond donors: 1	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.