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MMsINC code: MMs03075871

Type: Neutral
Formula: C₁₆H₁₄F₃NO₃S

SMILES:

S=C(N(CC(O)=O)C)c1c2c(ccc1)c(C(F)(F)F)c(OC)cc2

InChI:

InChI=1/C16H14F3NO3S/c1-20(8-13(21)22)15(24)11-5-3-4-10-9(11)6-7-12(23-2)14(10)16(17,18)19/h3-7H,8H2,1-2H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=113.88 kcal/mol

Physical Properties
Molecular Weight: 357.352 g/mol	logS: -5.87757	SlogP: 3.8706	Reactive groups: 0

Topological Properties
Globularity: 0.0653638	Sterimol/B1: 2.03033	Sterimol/B2: 4.79613	Sterimol/B3: 5.46197
Sterimol/B4: 6.29312	Sterimol/L: 15.3073

Surface and Volume Properties
Accessible surface: 534.02	Positive charged surface: 289.317	Negative charged surface: 237.81	Volume: 295.25
Hydrophobic surface: 297.532	Hydrophilic surface: 236.488

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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

MMs03075872
PUBCHEM-ZINC03780343