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MMsINC code: MMs01152788

Type: Neutral
Formula: C₁₉H₂₂ClN₃O₃

SMILES:

Clc1ccccc1C(=O)Nc1cc(C(=O)NCCOC)c(N(C)C)cc1

InChI:

InChI=1/C19H22ClN3O3/c1-23(2)17-9-8-13(12-15(17)18(24)21-10-11-26-3)22-19(25)14-6-4-5-7-16(14)20/h4-9,12H,10-11H2,1-3H3,(H,21,24)(H,22,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=158.194 kcal/mol

Physical Properties
Molecular Weight: 375.856 g/mol	logS: -4.30534	SlogP: 3.0345	Reactive groups: 0

Topological Properties
Globularity: 0.0563437	Sterimol/B1: 2.25387	Sterimol/B2: 2.58108	Sterimol/B3: 4.8001
Sterimol/B4: 11.0666	Sterimol/L: 15.6525

Surface and Volume Properties
Accessible surface: 664.439	Positive charged surface: 465.456	Negative charged surface: 198.983	Volume: 352.125
Hydrophobic surface: 600.027	Hydrophilic surface: 64.412

Pharmacophoric Properties
Hydrogen bond donors: 2	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.