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MMsINC code: MMs01725190

Type: Neutral
Formula: C₁₅H₁₅ClN₂O₄S

SMILES:

Clc1cc(O)c(cc1S(=O)(=O)N)C(=O)Nc1c(cccc1C)C

InChI:

InChI=1/C15H15ClN2O4S/c1-8-4-3-5-9(2)14(8)18-15(20)10-6-13(23(17,21)22)11(16)7-12(10)19/h3-7,19H,1-2H3,(H,18,20)(H2,17,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.822 kcal/mol

Physical Properties
Molecular Weight: 354.814 g/mol	logS: -4.27476	SlogP: 2.56214	Reactive groups: 0

Topological Properties
Globularity: 0.175648	Sterimol/B1: 2.43792	Sterimol/B2: 2.6021	Sterimol/B3: 5.95561
Sterimol/B4: 6.49132	Sterimol/L: 15.385

Surface and Volume Properties
Accessible surface: 547.986	Positive charged surface: 277.701	Negative charged surface: 270.285	Volume: 297.25
Hydrophobic surface: 362.225	Hydrophilic surface: 185.761

Pharmacophoric Properties
Hydrogen bond donors: 3	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

MMs01725191
FDA-ZINC00538538