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MMsINC code: MMs02717487

Type: Neutral
Formula: C₁₅H₁₅ClN₂O₄S

SMILES:

Clc1ccc(cc1S(=O)(=O)N)C(=O)NC(C)c1ccccc1O

InChI:

InChI=1/C15H15ClN2O4S/c1-9(11-4-2-3-5-13(11)19)18-15(20)10-6-7-12(16)14(8-10)23(17,21)22/h2-9,19H,1H3,(H,18,20)(H2,17,21,22)/t9-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=33.4659 kcal/mol

Physical Properties
Molecular Weight: 354.814 g/mol	logS: -4.22507	SlogP: 2.2795	Reactive groups: 0

Topological Properties
Globularity: 0.0620521	Sterimol/B1: 2.24951	Sterimol/B2: 2.26184	Sterimol/B3: 5.06398
Sterimol/B4: 6.3301	Sterimol/L: 16.1636

Surface and Volume Properties
Accessible surface: 557.917	Positive charged surface: 261.648	Negative charged surface: 296.269	Volume: 298
Hydrophobic surface: 345.19	Hydrophilic surface: 212.727

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs02717488
PUBCHEM-ZINC00638492