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MMsINC code: MMs01718372

Type: Neutral
Formula: C₁₀H₁₀Cl₂N₂O₂

SMILES:

Clc1cccc(Cl)c1CC(=O)NCC(=O)N

InChI:

InChI=1/C10H10Cl2N2O2/c11-7-2-1-3-8(12)6(7)4-10(16)14-5-9(13)15/h1-3H,4-5H2,(H2,13,15)(H,14,16)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=38.5464 kcal/mol

Physical Properties
Molecular Weight: 261.108 g/mol	logS: -3.33962	SlogP: 1.13737	Reactive groups: 0

Topological Properties
Globularity: 0.0772793	Sterimol/B1: 2.21312	Sterimol/B2: 3.98152	Sterimol/B3: 4.7446
Sterimol/B4: 4.7461	Sterimol/L: 14.3633

Surface and Volume Properties
Accessible surface: 452.207	Positive charged surface: 219.48	Negative charged surface: 232.727	Volume: 216.25
Hydrophobic surface: 297.998	Hydrophilic surface: 154.209

Pharmacophoric Properties
Hydrogen bond donors: 2	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.