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MMsINC code: MMs00231145

Type: Neutral
Formula: C₁₉H₁₆Cl₂N₂O₃

SMILES:

Clc1cccc(Cl)c1-c1noc(C)c1C(=O)Nc1ccccc1OCC

InChI:

InChI=1/C19H16Cl2N2O3/c1-3-25-15-10-5-4-9-14(15)22-19(24)16-11(2)26-23-18(16)17-12(20)7-6-8-13(17)21/h4-10H,3H2,1-2H3,(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.512 kcal/mol

Physical Properties
Molecular Weight: 391.254 g/mol	logS: -6.55596	SlogP: 5.60782	Reactive groups: 0

Topological Properties
Globularity: 0.298178	Sterimol/B1: 2.43743	Sterimol/B2: 3.47233	Sterimol/B3: 6.97698
Sterimol/B4: 8.09598	Sterimol/L: 12.4349

Surface and Volume Properties
Accessible surface: 601.333	Positive charged surface: 296.641	Negative charged surface: 304.692	Volume: 342
Hydrophobic surface: 540.001	Hydrophilic surface: 61.332

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.