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MMsINC code: MMs02647536

Type: Neutral
Formula: C₁₀H₁₀Cl₂N₂O₄

SMILES:

ClC(Cl)C(=O)NCC(O)c1ccc([N+](=O)[O-])cc1

InChI:

InChI=1/C10H10Cl2N2O4/c11-9(12)10(16)13-5-8(15)6-1-3-7(4-2-6)14(17)18/h1-4,8-9,15H,5H2,(H,13,16)/t8-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.9966 kcal/mol

Physical Properties
Molecular Weight: 293.106 g/mol	logS: -3.52999	SlogP: 2.0635	Reactive groups: 0

Topological Properties
Globularity: 0.0681237	Sterimol/B1: 2.43217	Sterimol/B2: 2.79951	Sterimol/B3: 4.41109
Sterimol/B4: 4.75127	Sterimol/L: 15.7842

Surface and Volume Properties
Accessible surface: 481.989	Positive charged surface: 175.259	Negative charged surface: 306.731	Volume: 229.25
Hydrophobic surface: 191.717	Hydrophilic surface: 290.272

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.