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MMsINC code: MMs02523186

Type: Neutral
Formula: C₂₃H₂₂ClN₃O₅

SMILES:

Clc1ccccc1-c1noc(C)c1C(=O)Nc1ccc(OCC(=O)N2CCOCC2)cc1

InChI:

InChI=1/C23H22ClN3O5/c1-15-21(22(26-32-15)18-4-2-3-5-19(18)24)23(29)25-16-6-8-17(9-7-16)31-14-20(28)27-10-12-30-13-11-27/h2-9H,10-14H2,1H3,(H,25,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=139.489 kcal/mol

Physical Properties
Molecular Weight: 455.898 g/mol	logS: -5.85252	SlogP: 3.79332	Reactive groups: 0

Topological Properties
Globularity: 0.0474214	Sterimol/B1: 2.31386	Sterimol/B2: 3.91047	Sterimol/B3: 4.08911
Sterimol/B4: 10.1543	Sterimol/L: 20.5461

Surface and Volume Properties
Accessible surface: 733.531	Positive charged surface: 426.584	Negative charged surface: 306.947	Volume: 408.25
Hydrophobic surface: 629.677	Hydrophilic surface: 103.854

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 5	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.