MMsINC Database Search


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MMsINC code: MMs00095691

Type: Neutral
Formula: C₁₈H₁₄FNO₂S

SMILES:

S(=O)(=O)(Nc1cc(F)ccc1)c1ccc(cc1)-c1ccccc1

InChI:

InChI=1/C18H14FNO2S/c19-16-7-4-8-17(13-16)20-23(21,22)18-11-9-15(10-12-18)14-5-2-1-3-6-14/h1-13,20H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=60.72 kcal/mol

Physical Properties
Molecular Weight: 327.379 g/mol	logS: -5.76808	SlogP: 4.2935	Reactive groups: 0

Topological Properties
Globularity: 0.0987058	Sterimol/B1: 3.65648	Sterimol/B2: 4.01243	Sterimol/B3: 4.05243
Sterimol/B4: 6.43128	Sterimol/L: 15.1877

Surface and Volume Properties
Accessible surface: 530.492	Positive charged surface: 246.875	Negative charged surface: 273.726	Volume: 295.875
Hydrophobic surface: 446.883	Hydrophilic surface: 83.609

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.