MMsINC Database Search


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MMsINC code: MMs00081454

Type: Neutral
Formula: C₉H₁₁F₃N₂O₂S

SMILES:

S(=O)(=O)(Nc1cc(ccc1)C(F)(F)F)N(C)C

InChI:

InChI=1/C9H11F3N2O2S/c1-14(2)17(15,16)13-8-5-3-4-7(6-8)9(10,11)12/h3-6,13H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=14.5428 kcal/mol

Physical Properties
Molecular Weight: 268.259 g/mol	logS: -2.05228	SlogP: 2.2352	Reactive groups: 0

Topological Properties
Globularity: 0.20727	Sterimol/B1: 2.53044	Sterimol/B2: 3.34016	Sterimol/B3: 4.30415
Sterimol/B4: 5.80496	Sterimol/L: 11.8022

Surface and Volume Properties
Accessible surface: 420.519	Positive charged surface: 217.787	Negative charged surface: 202.731	Volume: 207.875
Hydrophobic surface: 240.285	Hydrophilic surface: 180.234

Pharmacophoric Properties
Hydrogen bond donors: 1	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.