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MMsINC code: MMs01279791

Type: Neutral
Formula: C₁₇H₁₉ClN₂O₃S

SMILES:

Clc1cc(NS(=O)(=O)c2cc(ccc2)C)c(N2CCOCC2)cc1

InChI:

InChI=1/C17H19ClN2O3S/c1-13-3-2-4-15(11-13)24(21,22)19-16-12-14(18)5-6-17(16)20-7-9-23-10-8-20/h2-6,11-12,19H,7-10H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=123.138 kcal/mol

Physical Properties
Molecular Weight: 366.869 g/mol	logS: -4.47382	SlogP: 3.28582	Reactive groups: 0

Topological Properties
Globularity: 0.235625	Sterimol/B1: 2.51101	Sterimol/B2: 5.68865	Sterimol/B3: 6.16139
Sterimol/B4: 6.66458	Sterimol/L: 14.0742

Surface and Volume Properties
Accessible surface: 555.98	Positive charged surface: 315.972	Negative charged surface: 240.008	Volume: 323.5
Hydrophobic surface: 458.634	Hydrophilic surface: 97.346

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.