MMsINC Database Search


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MMsINC code: MMs02314114

Type: Neutral
Formula: C₈H₇F₃N₂O₂S

SMILES:

S1(=O)(=O)NCNc2cc(ccc12)C(F)(F)F

InChI:

InChI=1/C8H7F3N2O2S/c9-8(10,11)5-1-2-7-6(3-5)12-4-13-16(7,14)15/h1-3,12-13H,4H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-2.0796 kcal/mol

Physical Properties
Molecular Weight: 252.216 g/mol	logS: -1.93021	SlogP: 1.6782	Reactive groups: 0

Topological Properties
Globularity: 0.0598037	Sterimol/B1: 2.90532	Sterimol/B2: 2.98818	Sterimol/B3: 3.15503
Sterimol/B4: 4.95388	Sterimol/L: 11.0818

Surface and Volume Properties
Accessible surface: 380.972	Positive charged surface: 158.556	Negative charged surface: 222.416	Volume: 177.5
Hydrophobic surface: 138.49	Hydrophilic surface: 242.482

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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: no related molecules available.