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MMsINC code: MMs00206228

Type: Neutral
Formula: C₁₉H₂₀ClN₃O₃S

SMILES:

Clc1cc(ccc1OC)C(=O)NC(=S)Nc1ccc(N2CCOCC2)cc1

InChI:

InChI=1/C19H20ClN3O3S/c1-25-17-7-2-13(12-16(17)20)18(24)22-19(27)21-14-3-5-15(6-4-14)23-8-10-26-11-9-23/h2-7,12H,8-11H2,1H3,(H2,21,22,24,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=219.415 kcal/mol

Physical Properties
Molecular Weight: 405.906 g/mol	logS: -5.82192	SlogP: 3.312	Reactive groups: 0

Topological Properties
Globularity: 0.0190753	Sterimol/B1: 3.10741	Sterimol/B2: 3.59799	Sterimol/B3: 3.64736
Sterimol/B4: 5.0516	Sterimol/L: 21.9879

Surface and Volume Properties
Accessible surface: 652.371	Positive charged surface: 411.333	Negative charged surface: 241.039	Volume: 359.5
Hydrophobic surface: 516.093	Hydrophilic surface: 136.278

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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.