MMsINC Database Search


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MMsINC code: MMs00627408

Type: Neutral
Formula: C₁₅H₁₃ClN₂O₃

SMILES:

Clc1cc(ccc1C)C(=O)Nc1cccc([N+](=O)[O-])c1C

InChI:

InChI=1/C15H13ClN2O3/c1-9-6-7-11(8-12(9)16)15(19)17-13-4-3-5-14(10(13)2)18(20)21/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)=95.2778 kcal/mol

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

Topological Properties
Globularity: 0.0166621	Sterimol/B1: 2.68689	Sterimol/B2: 2.7543	Sterimol/B3: 4.20712
Sterimol/B4: 5.13356	Sterimol/L: 16.1311

Surface and Volume Properties
Accessible surface: 513.056	Positive charged surface: 223.238	Negative charged surface: 289.817	Volume: 268.25
Hydrophobic surface: 411.589	Hydrophilic surface: 101.467

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.