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MMsINC code: MMs03196781

Type: Ionized
Formula: C₁₄H₈Cl₂NO₃-

SMILES:

Clc1ccccc1C(=O)Nc1cc(ccc1Cl)C(=O)[O-]

InChI:

InChI=1/C14H9Cl2NO3/c15-10-4-2-1-3-9(10)13(18)17-12-7-8(14(19)20)5-6-11(12)16/h1-7H,(H,17,18)(H,19,20)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.7014 kcal/mol

Physical Properties
Molecular Weight: 309.128 g/mol	logS: -5.0533	SlogP: 2.6092	Reactive groups: 0

Topological Properties
Globularity: 0.0605854	Sterimol/B1: 2.23935	Sterimol/B2: 4.32306	Sterimol/B3: 5.22049
Sterimol/B4: 5.35619	Sterimol/L: 15.1096

Surface and Volume Properties
Accessible surface: 500.372	Positive charged surface: 172.91	Negative charged surface: 327.462	Volume: 257.375
Hydrophobic surface: 384.111	Hydrophilic surface: 116.261

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

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Parent related molecule:

MMs03196780
PUBCHEM-ZINC05068322