MMsINC Database Search


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MMsINC code: MMs02881160

Type: Neutral
Formula: C₁₄H₁₀Cl₂N₂O₃

SMILES:

Clc1ccc(cc1C)C(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1

InChI:

InChI=1/C14H10Cl2N2O3/c1-8-6-9(2-4-11(8)15)14(19)17-10-3-5-12(16)13(7-10)18(20)21/h2-7H,1H3,(H,17,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.2309 kcal/mol

Physical Properties
Molecular Weight: 325.151 g/mol	logS: -5.77415	SlogP: 4.46232	Reactive groups: 0

Topological Properties
Globularity: 0.0218536	Sterimol/B1: 2.2731	Sterimol/B2: 3.19528	Sterimol/B3: 3.27925
Sterimol/B4: 5.77137	Sterimol/L: 16.6034

Surface and Volume Properties
Accessible surface: 511.112	Positive charged surface: 189.693	Negative charged surface: 321.419	Volume: 264.875
Hydrophobic surface: 401.727	Hydrophilic surface: 109.385

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.