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MMsINC code: MMs00990462

Type: Neutral
Formula: C₂₀H₁₇ClN₂O₃

SMILES:

Clc1ccc(cc1)COc1ccc(cc1OC)C(=O)Nc1cccnc1

InChI:

InChI=1/C20H17ClN2O3/c1-25-19-11-15(20(24)23-17-3-2-10-22-12-17)6-9-18(19)26-13-14-4-7-16(21)8-5-14/h2-12H,13H2,1H3,(H,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=118.831 kcal/mol

Physical Properties
Molecular Weight: 368.82 g/mol	logS: -4.69968	SlogP: 4.8413	Reactive groups: 0

Topological Properties
Globularity: 0.0312212	Sterimol/B1: 2.33938	Sterimol/B2: 3.24271	Sterimol/B3: 4.01557
Sterimol/B4: 8.09147	Sterimol/L: 21.6021

Surface and Volume Properties
Accessible surface: 641.215	Positive charged surface: 388.618	Negative charged surface: 252.597	Volume: 339.625
Hydrophobic surface: 570.631	Hydrophilic surface: 70.584

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.