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MMsINC code: MMs00513389

Type: Neutral
Formula: C₂₀H₁₆Cl₂N₂O₃

SMILES:

Clc1cccc(Cl)c1COc1ccc(cc1OC)C(=O)Nc1cccnc1

InChI:

InChI=1/C20H16Cl2N2O3/c1-26-19-10-13(20(25)24-14-4-3-9-23-11-14)7-8-18(19)27-12-15-16(21)5-2-6-17(15)22/h2-11H,12H2,1H3,(H,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=119.051 kcal/mol

Physical Properties
Molecular Weight: 403.265 g/mol	logS: -5.43397	SlogP: 5.4947	Reactive groups: 0

Topological Properties
Globularity: 0.0372258	Sterimol/B1: 2.33918	Sterimol/B2: 4.29698	Sterimol/B3: 5.16935
Sterimol/B4: 8.09653	Sterimol/L: 20.3936

Surface and Volume Properties
Accessible surface: 651.277	Positive charged surface: 366.258	Negative charged surface: 285.019	Volume: 353.25
Hydrophobic surface: 582.358	Hydrophilic surface: 68.919

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.