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MMsINC code: MMs03018063

Type: Neutral
Formula: C₁₄H₁₂F₂N₂O₃S

SMILES:

S(=O)(=O)(N)c1ccc(cc1)C(=O)NCc1c(F)cccc1F

InChI:

InChI=1/C14H12F2N2O3S/c15-12-2-1-3-13(16)11(12)8-18-14(19)9-4-6-10(7-5-9)22(17,20)21/h1-7H,8H2,(H,18,19)(H2,17,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=16.4034 kcal/mol

Physical Properties
Molecular Weight: 326.323 g/mol	logS: -4.11548	SlogP: 1.8086	Reactive groups: 0

Topological Properties
Globularity: 0.0655987	Sterimol/B1: 2.44025	Sterimol/B2: 3.61383	Sterimol/B3: 4.04405
Sterimol/B4: 6.05585	Sterimol/L: 15.8118

Surface and Volume Properties
Accessible surface: 529.883	Positive charged surface: 249.506	Negative charged surface: 280.377	Volume: 264.5
Hydrophobic surface: 351.922	Hydrophilic surface: 177.961

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

MMs03018064
PUBCHEM-ZINC03591119