MMsINC Database Search


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MMsINC code: MMs02914931

Type: Neutral
Formula: C₁₂H₁₈FNO₂S

SMILES:

S(=O)(=O)(N(CCCC)CC)c1ccc(F)cc1

InChI:

InChI=1/C12H18FNO2S/c1-3-5-10-14(4-2)17(15,16)12-8-6-11(13)7-9-12/h6-9H,3-5,10H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=15.2069 kcal/mol

Physical Properties
Molecular Weight: 259.345 g/mol	logS: -2.96483	SlogP: 2.6364	Reactive groups: 0

Topological Properties
Globularity: 0.191264	Sterimol/B1: 2.27251	Sterimol/B2: 2.5443	Sterimol/B3: 5.09033
Sterimol/B4: 8.83164	Sterimol/L: 11.2426

Surface and Volume Properties
Accessible surface: 464.05	Positive charged surface: 274.714	Negative charged surface: 189.336	Volume: 244.5
Hydrophobic surface: 368.141	Hydrophilic surface: 95.909

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.