MMsINC Database Search


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MMsINC code: MMs02550250

Type: Neutral
Formula: C₁₄H₁₀F₂OS

SMILES:

S(C)c1ccc(cc1)C(=O)c1cc(F)c(F)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.7954 kcal/mol

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

Topological Properties
Globularity: 0.0279608	Sterimol/B1: 2.49531	Sterimol/B2: 3.27164	Sterimol/B3: 4.02667
Sterimol/B4: 4.55002	Sterimol/L: 15.1199

Surface and Volume Properties
Accessible surface: 455.85	Positive charged surface: 196.5	Negative charged surface: 259.35	Volume: 230.75
Hydrophobic surface: 378.713	Hydrophilic surface: 77.137

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.