MMsINC Database Search


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MMsINC code: MMs02151184

Type: Neutral
Formula: C₁₈H₁₆FNO₂S

SMILES:

S(=O)(=O)(N(CC)c1c2c(ccc1)cccc2)c1ccc(F)cc1

InChI:

InChI=1/C18H16FNO2S/c1-2-20(23(21,22)16-12-10-15(19)11-13-16)18-9-5-7-14-6-3-4-8-17(14)18/h3-13H,2H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=80.2574 kcal/mol

Physical Properties
Molecular Weight: 329.395 g/mol	logS: -5.62237	SlogP: 4.1941	Reactive groups: 0

Topological Properties
Globularity: 0.238225	Sterimol/B1: 2.34017	Sterimol/B2: 3.10403	Sterimol/B3: 6.46625
Sterimol/B4: 7.32137	Sterimol/L: 12.5702

Surface and Volume Properties
Accessible surface: 494.607	Positive charged surface: 250.654	Negative charged surface: 238.669	Volume: 295.625
Hydrophobic surface: 422.214	Hydrophilic surface: 72.393

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.