MMsINC Database Search


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MMsINC code: MMs01410829

Type: Neutral
Formula: C₁₅H₁₁Cl₂NO₅

SMILES:

Clc1ccccc1OCCOC(=O)c1ccc(Cl)cc1[N+](=O)[O-]

InChI:

InChI=1/C15H11Cl2NO5/c16-10-5-6-11(13(9-10)18(20)21)15(19)23-8-7-22-14-4-2-1-3-12(14)17/h1-6,9H,7-8H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.812 kcal/mol

Physical Properties
Molecular Weight: 356.161 g/mol	logS: -5.87014	SlogP: 4.1374	Reactive groups: 0

Topological Properties
Globularity: 0.0479387	Sterimol/B1: 2.16736	Sterimol/B2: 4.13728	Sterimol/B3: 4.87567
Sterimol/B4: 5.37826	Sterimol/L: 16.4074

Surface and Volume Properties
Accessible surface: 565.589	Positive charged surface: 234.248	Negative charged surface: 331.341	Volume: 289.375
Hydrophobic surface: 469.679	Hydrophilic surface: 95.91

Pharmacophoric Properties
Hydrogen bond donors: 0	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.