MMsINC Database Search


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MMsINC code: MMs01072913

Type: Neutral
Formula: C₁₃H₈Cl₂N₂O₃

SMILES:

Clc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccccc1Cl

InChI:

InChI=1/C13H8Cl2N2O3/c14-10-6-5-8(17(19)20)7-9(10)13(18)16-12-4-2-1-3-11(12)15/h1-7H,(H,16,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.4719 kcal/mol

Physical Properties
Molecular Weight: 311.124 g/mol	logS: -5.61368	SlogP: 4.1539	Reactive groups: 0

Topological Properties
Globularity: 0.0127733	Sterimol/B1: 2.097	Sterimol/B2: 3.38628	Sterimol/B3: 4.29117
Sterimol/B4: 5.91857	Sterimol/L: 14.583

Surface and Volume Properties
Accessible surface: 483.812	Positive charged surface: 163.999	Negative charged surface: 319.813	Volume: 248.375
Hydrophobic surface: 379.81	Hydrophilic surface: 104.002

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.