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MMsINC code: MMs02690591

Type: Neutral
Formula: C₁₅H₁₅NO₄S

SMILES:

S(=O)(=O)(Nc1ccccc1)c1cc(cc(C)c1C)C(O)=O

InChI:

InChI=1/C15H15NO4S/c1-10-8-12(15(17)18)9-14(11(10)2)21(19,20)16-13-6-4-3-5-7-13/h3-9,16H,1-2H3,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.0998 kcal/mol

Physical Properties
Molecular Weight: 305.354 g/mol	logS: -3.65051	SlogP: 2.80244	Reactive groups: 0

Topological Properties
Globularity: 0.287785	Sterimol/B1: 2.99331	Sterimol/B2: 3.18549	Sterimol/B3: 5.94477
Sterimol/B4: 7.36156	Sterimol/L: 11.4571

Surface and Volume Properties
Accessible surface: 497.33	Positive charged surface: 266.147	Negative charged surface: 231.183	Volume: 269.625
Hydrophobic surface: 330.042	Hydrophilic surface: 167.288

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

MMs02690592
PUBCHEM-ZINC00482282