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MMsINC code: MMs00427706

Type: Neutral
Formula: C₁₇H₂₅ClN₂O₅S

SMILES:

Clc1cc(S(=O)(=O)NCCOC)ccc1OCC(=O)N1CCCCCC1

InChI:

InChI=1/C17H25ClN2O5S/c1-24-11-8-19-26(22,23)14-6-7-16(15(18)12-14)25-13-17(21)20-9-4-2-3-5-10-20/h6-7,12,19H,2-5,8-11,13H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.9584 kcal/mol

Physical Properties
Molecular Weight: 404.915 g/mol	logS: -3.17267	SlogP: 2.0461	Reactive groups: 0

Topological Properties
Globularity: 0.0642751	Sterimol/B1: 2.49216	Sterimol/B2: 3.72971	Sterimol/B3: 5.49557
Sterimol/B4: 7.65637	Sterimol/L: 18.9535

Surface and Volume Properties
Accessible surface: 664.183	Positive charged surface: 440.134	Negative charged surface: 224.049	Volume: 356.875
Hydrophobic surface: 544.619	Hydrophilic surface: 119.564

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.