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MMsINC code: MMs02253500

Type: Ionized
Formula: C₁₄H₆Cl₂O₄-2

SMILES:

Clc1cccc(C(=O)[O-])c1-c1c(cccc1Cl)C(=O)[O-]

InChI:

InChI=1/C14H8Cl2O4/c15-9-5-1-3-7(13(17)18)11(9)12-8(14(19)20)4-2-6-10(12)16/h1-6H,(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)=80.8611 kcal/mol

Physical Properties
Molecular Weight: 309.104 g/mol	logS: -5.73954	SlogP: 1.3874	Reactive groups: 0

Topological Properties
Globularity: 0.290452	Sterimol/B1: 4.06288	Sterimol/B2: 4.09275	Sterimol/B3: 4.44674
Sterimol/B4: 4.75728	Sterimol/L: 12.2872

Surface and Volume Properties
Accessible surface: 454.666	Positive charged surface: 143.823	Negative charged surface: 310.843	Volume: 247.25
Hydrophobic surface: 316.419	Hydrophilic surface: 138.247

Pharmacophoric Properties
Hydrogen bond donors: 0	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:

MMs02253499
NCID-ZINC01600328