MMsINC Database Search


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MMsINC code: MMs02652562

Type: Neutral
Formula: C₁₅H₁₃FN₂O₄S

SMILES:

S(=O)(=O)(NC(=O)C)c1ccc(NC(=O)c2cc(F)ccc2)cc1

InChI:

InChI=1/C15H13FN2O4S/c1-10(19)18-23(21,22)14-7-5-13(6-8-14)17-15(20)11-3-2-4-12(16)9-11/h2-9H,1H3,(H,17,20)(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=29.2977 kcal/mol

Physical Properties
Molecular Weight: 336.343 g/mol	logS: -4.08239	SlogP: 1.9028	Reactive groups: 0

Topological Properties
Globularity: 0.0473962	Sterimol/B1: 2.46865	Sterimol/B2: 2.77316	Sterimol/B3: 5.02867
Sterimol/B4: 6.21067	Sterimol/L: 17.395

Surface and Volume Properties
Accessible surface: 543.895	Positive charged surface: 264.7	Negative charged surface: 279.195	Volume: 280.875
Hydrophobic surface: 399.248	Hydrophilic surface: 144.647

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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.