MMsINC Database Search


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MMsINC code: MMs02652176

Type: Neutral
Formula: C₁₂H₁₈FNO₂S

SMILES:

S(=O)(=O)(N(CCC)CCC)c1ccc(F)cc1

InChI:

InChI=1/C12H18FNO2S/c1-3-9-14(10-4-2)17(15,16)12-7-5-11(13)6-8-12/h5-8H,3-4,9-10H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=15.1424 kcal/mol

Physical Properties
Molecular Weight: 259.345 g/mol	logS: -2.65138	SlogP: 2.6364	Reactive groups: 0

Topological Properties
Globularity: 0.150625	Sterimol/B1: 1.969	Sterimol/B2: 2.4197	Sterimol/B3: 5.06265
Sterimol/B4: 8.26611	Sterimol/L: 13.2158

Surface and Volume Properties
Accessible surface: 468.936	Positive charged surface: 273.639	Negative charged surface: 195.297	Volume: 244.75
Hydrophobic surface: 372.904	Hydrophilic surface: 96.032

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.