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MMsINC code: MMs03127143

Type: Neutral
Formula: C₂₀H₂₂ClN₃O₃

SMILES:

Clc1ccccc1C(=O)N(CCC)CC(=O)NCC(=O)Nc1ccccc1

InChI:

InChI=1/C20H22ClN3O3/c1-2-12-24(20(27)16-10-6-7-11-17(16)21)14-19(26)22-13-18(25)23-15-8-4-3-5-9-15/h3-11H,2,12-14H2,1H3,(H,22,26)(H,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=105.51 kcal/mol

Physical Properties
Molecular Weight: 387.867 g/mol	logS: -4.85729	SlogP: 2.9471	Reactive groups: 0

Topological Properties
Globularity: 0.0435305	Sterimol/B1: 2.28086	Sterimol/B2: 2.91144	Sterimol/B3: 6.02753
Sterimol/B4: 6.86844	Sterimol/L: 20.5867

Surface and Volume Properties
Accessible surface: 664.783	Positive charged surface: 382.268	Negative charged surface: 282.515	Volume: 362.875
Hydrophobic surface: 527.805	Hydrophilic surface: 136.978

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.