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MMsINC code: MMs01379499

Type: Neutral
Formula: C₂₁H₁₇ClN₂O₄

SMILES:

Clc1cc(NC(=O)COc2ccccc2C(=O)N)c(Oc2ccccc2)cc1

InChI:

InChI=1/C21H17ClN2O4/c22-14-10-11-19(28-15-6-2-1-3-7-15)17(12-14)24-20(25)13-27-18-9-5-4-8-16(18)21(23)26/h1-12H,13H2,(H2,23,26)(H,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=126.667 kcal/mol

Physical Properties
Molecular Weight: 396.83 g/mol	logS: -6.20081	SlogP: 4.2487	Reactive groups: 0

Topological Properties
Globularity: 0.0367658	Sterimol/B1: 3.22335	Sterimol/B2: 3.41029	Sterimol/B3: 3.82412
Sterimol/B4: 9.10538	Sterimol/L: 18.4427

Surface and Volume Properties
Accessible surface: 658.926	Positive charged surface: 360.652	Negative charged surface: 298.274	Volume: 354.125
Hydrophobic surface: 522.859	Hydrophilic surface: 136.067

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.