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MMsINC code: MMs00641213

Type: Ionized
Formula: C₁₅H₇Cl₂NO₅-2

SMILES:

Clc1cc(C(=O)Nc2ccccc2C(=O)[O-])c(cc1Cl)C(=O)[O-]

InChI:

InChI=1/C15H9Cl2NO5/c16-10-5-8(9(15(22)23)6-11(10)17)13(19)18-12-4-2-1-3-7(12)14(20)21/h1-6H,(H,18,19)(H,20,21)(H,22,23)/p-2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=53.1253 kcal/mol

Physical Properties
Molecular Weight: 352.129 g/mol	logS: -5.28315	SlogP: 0.9727	Reactive groups: 0

Topological Properties
Globularity: 0.0430296	Sterimol/B1: 3.13058	Sterimol/B2: 3.62227	Sterimol/B3: 4.57068
Sterimol/B4: 5.7585	Sterimol/L: 15.3795

Surface and Volume Properties
Accessible surface: 521.962	Positive charged surface: 161.822	Negative charged surface: 360.14	Volume: 276.25
Hydrophobic surface: 347.678	Hydrophilic surface: 174.284

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 4	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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Parent related molecule:

MMs00641212
CHEMBRIDGE-ZINC00705307