MMsINC Database Search


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MMsINC code: MMs00787327

Type: Neutral
Formula: C₁₅H₁₃ClN₂O₃

SMILES:

Clc1cc(ccc1C)C(=O)Nc1ccc(cc1[N+](=O)[O-])C

InChI:

InChI=1/C15H13ClN2O3/c1-9-3-6-13(14(7-9)18(20)21)17-15(19)11-5-4-10(2)12(16)8-11/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)=88.7134 kcal/mol

Physical Properties
Molecular Weight: 304.733 g/mol	logS: -5.51378	SlogP: 4.11734	Reactive groups: 0

Topological Properties
Globularity: 0.0137593	Sterimol/B1: 2.65544	Sterimol/B2: 2.72674	Sterimol/B3: 3.3808
Sterimol/B4: 5.84498	Sterimol/L: 16.0753

Surface and Volume Properties
Accessible surface: 520.181	Positive charged surface: 231.251	Negative charged surface: 288.93	Volume: 267.375
Hydrophobic surface: 419.169	Hydrophilic surface: 101.012

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.