MMsINC Database Search


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MMsINC code: MMs03174998

Type: Neutral
Formula: C₁₀H₁₄FNO₃S

SMILES:

S(=O)(=O)(NC(C)C)c1cc(OC)c(F)cc1

InChI:

InChI=1/C10H14FNO3S/c1-7(2)12-16(13,14)8-4-5-9(11)10(6-8)15-3/h4-7,12H,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=19.1134 kcal/mol

Physical Properties
Molecular Weight: 247.29 g/mol	logS: -2.22264	SlogP: 1.521	Reactive groups: 0

Topological Properties
Globularity: 0.203871	Sterimol/B1: 3.79771	Sterimol/B2: 3.92863	Sterimol/B3: 4.16022
Sterimol/B4: 5.72018	Sterimol/L: 11.4622

Surface and Volume Properties
Accessible surface: 432.962	Positive charged surface: 256.941	Negative charged surface: 176.021	Volume: 214.375
Hydrophobic surface: 305.618	Hydrophilic surface: 127.344

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.