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MMsINC code: MMs01281464

Type: Neutral
Formula: C₁₅H₁₃F₂NO₄S

SMILES:

S(=O)(=O)(NC(Cc1ccccc1)C(O)=O)c1ccc(F)cc1F

InChI:

InChI=1/C15H13F2NO4S/c16-11-6-7-14(12(17)9-11)23(21,22)18-13(15(19)20)8-10-4-2-1-3-5-10/h1-7,9,13,18H,8H2,(H,19,20)/t13-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=31.1791 kcal/mol

Physical Properties
Molecular Weight: 341.334 g/mol	logS: -3.63803	SlogP: 1.93897	Reactive groups: 0

Topological Properties
Globularity: 0.113577	Sterimol/B1: 2.984	Sterimol/B2: 3.69171	Sterimol/B3: 4.3798
Sterimol/B4: 5.80642	Sterimol/L: 14.7878

Surface and Volume Properties
Accessible surface: 502.955	Positive charged surface: 240.545	Negative charged surface: 262.41	Volume: 277.75
Hydrophobic surface: 372.833	Hydrophilic surface: 130.122

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

MMs01281465
ENAMINE-ZINC02659871