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MMsINC code: MMs00469663

Type: Neutral
Formula: C₁₆H₁₆FNO₄S₂

SMILES:

S(=O)(=O)(NC(C(O)=O)CSCc1ccccc1)c1ccc(F)cc1

InChI:

InChI=1/C16H16FNO4S2/c17-13-6-8-14(9-7-13)24(21,22)18-15(16(19)20)11-23-10-12-4-2-1-3-5-12/h1-9,15,18H,10-11H2,(H,19,20)/t15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=42.6384 kcal/mol

Physical Properties
Molecular Weight: 369.437 g/mol	logS: -4.27346	SlogP: 2.757	Reactive groups: 0

Topological Properties
Globularity: 0.0728002	Sterimol/B1: 3.15748	Sterimol/B2: 3.61984	Sterimol/B3: 4.03969
Sterimol/B4: 5.87282	Sterimol/L: 18.0081

Surface and Volume Properties
Accessible surface: 591.395	Positive charged surface: 302.299	Negative charged surface: 289.096	Volume: 316.125
Hydrophobic surface: 422.801	Hydrophilic surface: 168.594

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

MMs00469664
AURORAFEINCHEMIE-ZINC04387899