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MMsINC code: MMs01691098

Type: Neutral
Formula: C₁₄H₁₀F₄N₂O₃S

SMILES:

S(=O)(=O)(N)c1ccc(cc1)CNC(=O)c1cc(F)c(F)c(F)c1F

InChI:

InChI=1/C14H10F4N2O3S/c15-10-5-9(11(16)13(18)12(10)17)14(21)20-6-7-1-3-8(4-2-7)24(19,22)23/h1-5H,6H2,(H,20,21)(H2,19,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=19.5848 kcal/mol

Physical Properties
Molecular Weight: 362.303 g/mol	logS: -4.70544	SlogP: 2.0868	Reactive groups: 0

Topological Properties
Globularity: 0.049598	Sterimol/B1: 2.42004	Sterimol/B2: 3.56231	Sterimol/B3: 4.81636
Sterimol/B4: 5.42173	Sterimol/L: 17.315

Surface and Volume Properties
Accessible surface: 540.481	Positive charged surface: 237.086	Negative charged surface: 303.394	Volume: 269.75
Hydrophobic surface: 363.486	Hydrophilic surface: 176.995

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

MMs01691099
ENAMINE-ZINC06650079