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MMsINC code: MMs00538573

Type: Neutral
Formula: C₁₉H₁₉Cl₂NO₄

SMILES:

Clc1cccc(Cl)c1C(=O)NC(CC(O)=O)c1ccc(OCCC)cc1

InChI:

InChI=1/C19H19Cl2NO4/c1-2-10-26-13-8-6-12(7-9-13)16(11-17(23)24)22-19(25)18-14(20)4-3-5-15(18)21/h3-9,16H,2,10-11H2,1H3,(H,22,25)(H,23,24)/t16-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.055 kcal/mol

Physical Properties
Molecular Weight: 396.27 g/mol	logS: -5.22461	SlogP: 4.8235	Reactive groups: 0

Topological Properties
Globularity: 0.079321	Sterimol/B1: 3.01458	Sterimol/B2: 3.28918	Sterimol/B3: 5.5283
Sterimol/B4: 9.17537	Sterimol/L: 17.0847

Surface and Volume Properties
Accessible surface: 645.527	Positive charged surface: 335.312	Negative charged surface: 310.215	Volume: 350.375
Hydrophobic surface: 504.734	Hydrophilic surface: 140.793

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs00538574
CHEMBLOCK-ZINC03623704