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MMsINC code: MMs01402098

Type: Neutral
Formula: C₁₇H₁₃Cl₂NO₄

SMILES:

Clc1cc(cc(Cl)c1)C(OCC(=O)Nc1ccccc1C(=O)C)=O

InChI:

InChI=1/C17H13Cl2NO4/c1-10(21)14-4-2-3-5-15(14)20-16(22)9-24-17(23)11-6-12(18)8-13(19)7-11/h2-8H,9H2,1H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.0475 kcal/mol

Physical Properties
Molecular Weight: 366.2 g/mol	logS: -5.54389	SlogP: 3.9915	Reactive groups: 0

Topological Properties
Globularity: 0.0245321	Sterimol/B1: 2.5628	Sterimol/B2: 2.57571	Sterimol/B3: 4.04699
Sterimol/B4: 7.12367	Sterimol/L: 18.1194

Surface and Volume Properties
Accessible surface: 599.703	Positive charged surface: 267.835	Negative charged surface: 331.867	Volume: 309.75
Hydrophobic surface: 495.541	Hydrophilic surface: 104.162

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.