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MMsINC code: MMs00835182

Type: Ionized
Formula: C₁₅H₈ClNO₅-2

SMILES:

Clc1ccccc1NC(=O)c1ccc(cc1C(=O)[O-])C(=O)[O-]

InChI:

InChI=1/C15H10ClNO5/c16-11-3-1-2-4-12(11)17-13(18)9-6-5-8(14(19)20)7-10(9)15(21)22/h1-7H,(H,17,18)(H,19,20)(H,21,22)/p-2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.6504 kcal/mol

Physical Properties
Molecular Weight: 317.684 g/mol	logS: -4.54886	SlogP: 0.3193	Reactive groups: 0

Topological Properties
Globularity: 0.0269796	Sterimol/B1: 2.74558	Sterimol/B2: 3.00789	Sterimol/B3: 3.90438
Sterimol/B4: 5.73864	Sterimol/L: 16.0212

Surface and Volume Properties
Accessible surface: 497.513	Positive charged surface: 188.653	Negative charged surface: 308.86	Volume: 259.5
Hydrophobic surface: 317.179	Hydrophilic surface: 180.334

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:

MMs00835181
CHEMDIV-ZINC00168148