MMsINC Database Search


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MMsINC code: MMs02550251

Type: Neutral
Formula: C₁₄H₁₀F₂OS

SMILES:

S(C)c1ccc(cc1)C(=O)c1cc(F)cc(F)c1

InChI:

InChI=1/C14H10F2OS/c1-18-13-4-2-9(3-5-13)14(17)10-6-11(15)8-12(16)7-10/h2-8H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.2655 kcal/mol

Physical Properties
Molecular Weight: 264.295 g/mol	logS: -5.06905	SlogP: 3.9177	Reactive groups: 0

Topological Properties
Globularity: 0.0277483	Sterimol/B1: 2.49566	Sterimol/B2: 3.26186	Sterimol/B3: 4.08399
Sterimol/B4: 4.50416	Sterimol/L: 15.2668

Surface and Volume Properties
Accessible surface: 456.286	Positive charged surface: 193.808	Negative charged surface: 262.478	Volume: 229.125
Hydrophobic surface: 379.664	Hydrophilic surface: 76.622

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.