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MMsINC code: MMs00986391

Type: Neutral
Formula: C₁₉H₁₇ClN₂O₃

SMILES:

Clc1cc(NC(=O)COC2=CC(=O)N(c3c2cccc3)CC)ccc1

InChI:

InChI=1/C19H17ClN2O3/c1-2-22-16-9-4-3-8-15(16)17(11-19(22)24)25-12-18(23)21-14-7-5-6-13(20)10-14/h3-11H,2,12H2,1H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.2608 kcal/mol

Physical Properties
Molecular Weight: 356.809 g/mol	logS: -5.25354	SlogP: 3.7027	Reactive groups: 0

Topological Properties
Globularity: 0.019589	Sterimol/B1: 2.5179	Sterimol/B2: 3.01903	Sterimol/B3: 3.70465
Sterimol/B4: 7.32645	Sterimol/L: 18.6656

Surface and Volume Properties
Accessible surface: 605.567	Positive charged surface: 326.474	Negative charged surface: 279.093	Volume: 323.375
Hydrophobic surface: 498.341	Hydrophilic surface: 107.226

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.