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MMsINC code: MMs01331682

Type: Neutral
Formula: C₁₀H₁₁Cl₂NO₂

SMILES:

Clc1cc(NC(=O)C(Cl)C)c(OC)cc1

InChI:

InChI=1/C10H11Cl2NO2/c1-6(11)10(14)13-8-5-7(12)3-4-9(8)15-2/h3-6H,1-2H3,(H,13,14)/t6-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=60.9263 kcal/mol

Physical Properties
Molecular Weight: 248.109 g/mol	logS: -3.46413	SlogP: 3.3343	Reactive groups: 0

Topological Properties
Globularity: 0.0392654	Sterimol/B1: 2.4601	Sterimol/B2: 4.03864	Sterimol/B3: 4.83953
Sterimol/B4: 6.22053	Sterimol/L: 11.9704

Surface and Volume Properties
Accessible surface: 449.727	Positive charged surface: 231.15	Negative charged surface: 218.577	Volume: 212.75
Hydrophobic surface: 325.048	Hydrophilic surface: 124.679

Pharmacophoric Properties
Hydrogen bond donors: 1	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.