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MMsINC code: MMs00503070

Type: Neutral
Formula: C₁₅H₁₃ClN₂O₄

SMILES:

Clc1ccc(cc1[N+](=O)[O-])C(=O)NCc1ccccc1OC

InChI:

InChI=1/C15H13ClN2O4/c1-22-14-5-3-2-4-11(14)9-17-15(19)10-6-7-12(16)13(8-10)18(20)21/h2-8H,9H2,1H3,(H,17,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.5567 kcal/mol

Physical Properties
Molecular Weight: 320.732 g/mol	logS: -4.87381	SlogP: 3.4532	Reactive groups: 0

Topological Properties
Globularity: 0.113527	Sterimol/B1: 2.1988	Sterimol/B2: 2.74699	Sterimol/B3: 5.2426
Sterimol/B4: 7.02528	Sterimol/L: 16.0142

Surface and Volume Properties
Accessible surface: 545.112	Positive charged surface: 275.422	Negative charged surface: 269.689	Volume: 277.75
Hydrophobic surface: 424.471	Hydrophilic surface: 120.641

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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: no related molecules available.