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MMsINC code: MMs02938448

Type: Neutral
Formula: C₁₈H₁₉ClN₂O₄S

SMILES:

Clc1cc(S(=O)(=O)NCc2ccccc2)ccc1OCC(=O)NC1CC1

InChI:

InChI=1/C18H19ClN2O4S/c19-16-10-15(26(23,24)20-11-13-4-2-1-3-5-13)8-9-17(16)25-12-18(22)21-14-6-7-14/h1-5,8-10,14,20H,6-7,11-12H2,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.3601 kcal/mol

Physical Properties
Molecular Weight: 394.879 g/mol	logS: -4.50038	SlogP: 2.7423	Reactive groups: 0

Topological Properties
Globularity: 0.0411322	Sterimol/B1: 2.95221	Sterimol/B2: 4.17951	Sterimol/B3: 5.07485
Sterimol/B4: 7.44703	Sterimol/L: 20.8215

Surface and Volume Properties
Accessible surface: 674.082	Positive charged surface: 350.241	Negative charged surface: 323.841	Volume: 347.125
Hydrophobic surface: 493.101	Hydrophilic surface: 180.981

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.