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MMsINC code: MMs02625438

Type: Ionized
Formula: C₁₄H₈ClNO₄-2

SMILES:

Clc1cc(Nc2ccccc2C(=O)[O-])c(cc1)C(=O)[O-]

InChI:

InChI=1/C14H10ClNO4/c15-8-5-6-10(14(19)20)12(7-8)16-11-4-2-1-3-9(11)13(17)18/h1-7,16H,(H,17,18)(H,19,20)/p-2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.9974 kcal/mol

Physical Properties
Molecular Weight: 289.674 g/mol	logS: -4.19919	SlogP: 0.8106	Reactive groups: 0

Topological Properties
Globularity: 0.0966787	Sterimol/B1: 2.98528	Sterimol/B2: 4.1164	Sterimol/B3: 4.20421
Sterimol/B4: 5.8588	Sterimol/L: 12.4944

Surface and Volume Properties
Accessible surface: 471.356	Positive charged surface: 176.788	Negative charged surface: 294.568	Volume: 243.5
Hydrophobic surface: 319.87	Hydrophilic surface: 151.486

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 0	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

search links for this molecule:

Parent related molecule:

MMs02625437
PUBCHEM-ZINC00001625