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MMsINC code: MMs00838573

Type: Neutral
Formula: C₁₇H₁₃ClN₂O₃

SMILES:

Clc1cc(NC(=O)Cc2c3c([nH]c2C(O)=O)cccc3)ccc1

InChI:

InChI=1/C17H13ClN2O3/c18-10-4-3-5-11(8-10)19-15(21)9-13-12-6-1-2-7-14(12)20-16(13)17(22)23/h1-8,20H,9H2,(H,19,21)(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.4057 kcal/mol

Physical Properties
Molecular Weight: 328.755 g/mol	logS: -4.56285	SlogP: 3.70067	Reactive groups: 0

Topological Properties
Globularity: 0.119023	Sterimol/B1: 2.54299	Sterimol/B2: 3.65701	Sterimol/B3: 4.2944
Sterimol/B4: 9.05073	Sterimol/L: 15.4316

Surface and Volume Properties
Accessible surface: 554.932	Positive charged surface: 274.761	Negative charged surface: 276.561	Volume: 289.25
Hydrophobic surface: 409.841	Hydrophilic surface: 145.091

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 3	Acid groups: 0	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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Ions/Tautomers related molecules

MMs00838574
CHEMDIV-ZINC00201491