MMsINC Database Search


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MMsINC code: MMs00103621

Type: Neutral
Formula: C₁₃H₁₀FNO₃S

SMILES:

S(=O)(=O)(NC(=O)c1ccc(F)cc1)c1ccccc1

InChI:

InChI=1/C13H10FNO3S/c14-11-8-6-10(7-9-11)13(16)15-19(17,18)12-4-2-1-3-5-12/h1-9H,(H,15,16)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=19.5087 kcal/mol

Physical Properties
Molecular Weight: 279.291 g/mol	logS: -3.87294	SlogP: 1.9444	Reactive groups: 0

Topological Properties
Globularity: 0.117537	Sterimol/B1: 2.72719	Sterimol/B2: 3.03752	Sterimol/B3: 5.59427
Sterimol/B4: 5.72509	Sterimol/L: 13.712

Surface and Volume Properties
Accessible surface: 465.208	Positive charged surface: 201.458	Negative charged surface: 263.749	Volume: 235.125
Hydrophobic surface: 370.481	Hydrophilic surface: 94.727

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.