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MMsINC code: MMs00599563

Type: Neutral
Formula: C₁₅H₁₃ClN₂O₃

SMILES:

Clc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2C)c1C

InChI:

InChI=1/C15H13ClN2O3/c1-9-11(5-3-8-14(9)18(20)21)15(19)17-13-7-4-6-12(16)10(13)2/h3-8H,1-2H3,(H,17,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=121.237 kcal/mol

Physical Properties
Molecular Weight: 304.733 g/mol	logS: -5.20033	SlogP: 4.11734	Reactive groups: 0

Topological Properties
Globularity: 0.0188019	Sterimol/B1: 2.22711	Sterimol/B2: 2.6411	Sterimol/B3: 2.91417
Sterimol/B4: 6.73504	Sterimol/L: 16.0472

Surface and Volume Properties
Accessible surface: 495.391	Positive charged surface: 218.892	Negative charged surface: 276.499	Volume: 264.5
Hydrophobic surface: 406.242	Hydrophilic surface: 89.149

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