MMsINC Database Search


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MMsINC code: MMs02551187

Type: Neutral
Formula: C₈H₇F₃O₂S

SMILES:

S(=O)(=O)(Cc1cc(F)c(F)cc1F)C

InChI:

InChI=1/C8H7F3O2S/c1-14(12,13)4-5-2-7(10)8(11)3-6(5)9/h2-3H,4H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=28.3918 kcal/mol

Physical Properties
Molecular Weight: 224.202 g/mol	logS: -2.35455	SlogP: 1.9149	Reactive groups: 0

Topological Properties
Globularity: 0.0810342	Sterimol/B1: 2.96233	Sterimol/B2: 3.15595	Sterimol/B3: 3.79482
Sterimol/B4: 3.91614	Sterimol/L: 11.8377

Surface and Volume Properties
Accessible surface: 362.37	Positive charged surface: 156.223	Negative charged surface: 206.147	Volume: 167.375
Hydrophobic surface: 303.497	Hydrophilic surface: 58.873

Pharmacophoric Properties
Hydrogen bond donors: 0	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.