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MMsINC code: MMs03209676

Type: Neutral
Formula: C₁₅H₁₃ClFNO₄S

SMILES:

Clc1cc(F)c(NS(=O)(=O)c2cc(cc(C)c2C)C(O)=O)cc1

InChI:

InChI=1/C15H13ClFNO4S/c1-8-5-10(15(19)20)6-14(9(8)2)23(21,22)18-13-4-3-11(16)7-12(13)17/h3-7,18H,1-2H3,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.3811 kcal/mol

Physical Properties
Molecular Weight: 357.789 g/mol	logS: -4.67978	SlogP: 3.59494	Reactive groups: 0

Topological Properties
Globularity: 0.198674	Sterimol/B1: 2.50863	Sterimol/B2: 3.18139	Sterimol/B3: 6.15018
Sterimol/B4: 7.10457	Sterimol/L: 12.4958

Surface and Volume Properties
Accessible surface: 525.93	Positive charged surface: 222.829	Negative charged surface: 303.101	Volume: 285
Hydrophobic surface: 358.267	Hydrophilic surface: 167.663

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

MMs03209677
PUBCHEM-ZINC05134693