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MMsINC code: MMs02856561

Type: Ionized
Formula: C₁₄H₇Cl₄O₃-

SMILES:

Clc1c(Oc2ccccc2CC(=O)[O-])c(Cl)c(Cl)cc1Cl

InChI:

InChI=1/C14H8Cl4O3/c15-8-6-9(16)13(18)14(12(8)17)21-10-4-2-1-3-7(10)5-11(19)20/h1-4,6H,5H2,(H,19,20)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.0548 kcal/mol

Physical Properties
Molecular Weight: 365.019 g/mol	logS: -6.39607	SlogP: 4.38487	Reactive groups: 0

Topological Properties
Globularity: 0.181414	Sterimol/B1: 2.83653	Sterimol/B2: 4.85965	Sterimol/B3: 4.9235
Sterimol/B4: 6.86161	Sterimol/L: 13.1159

Surface and Volume Properties
Accessible surface: 512.014	Positive charged surface: 154.197	Negative charged surface: 357.817	Volume: 280.5
Hydrophobic surface: 430.196	Hydrophilic surface: 81.818

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	Acid groups: 2	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

search links for this molecule:

Parent related molecule:

MMs02856560
PUBCHEM-ZINC02021286