MMsINC Database Search


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MMsINC code: MMs02690484

Type: Neutral
Formula: C₁₆H₁₅FOS

SMILES:

S(=O)(\C(\F)=C/c1ccccc1C)c1ccc(cc1)C

InChI:

InChI=1/C16H15FOS/c1-12-7-9-15(10-8-12)19(18)16(17)11-14-6-4-3-5-13(14)2/h3-11H,1-2H3/b16-11+/t19-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.0187 kcal/mol

Physical Properties
Molecular Weight: 274.359 g/mol	logS: -5.34181	SlogP: 4.48804	Reactive groups: 0

Topological Properties
Globularity: 0.0949146	Sterimol/B1: 2.28526	Sterimol/B2: 4.14722	Sterimol/B3: 4.60484
Sterimol/B4: 5.90485	Sterimol/L: 15.1878

Surface and Volume Properties
Accessible surface: 510.077	Positive charged surface: 282.686	Negative charged surface: 227.39	Volume: 265.25
Hydrophobic surface: 456.951	Hydrophilic surface: 53.126

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.