MMsINC Database Search


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MMsINC code: MMs01230746

Type: Neutral
Formula: C₁₅H₁₄F₂N₂O₃S

SMILES:

S(=O)(=O)(N(C)C)c1ccc(cc1)C(=O)Nc1ccc(F)cc1F

InChI:

InChI=1/C15H14F2N2O3S/c1-19(2)23(21,22)12-6-3-10(4-7-12)15(20)18-14-8-5-11(16)9-13(14)17/h3-9H,1-2H3,(H,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.5021 kcal/mol

Physical Properties
Molecular Weight: 340.35 g/mol	logS: -3.85839	SlogP: 2.4674	Reactive groups: 0

Topological Properties
Globularity: 0.0434912	Sterimol/B1: 2.37429	Sterimol/B2: 3.30306	Sterimol/B3: 4.38225
Sterimol/B4: 5.81132	Sterimol/L: 17.2563

Surface and Volume Properties
Accessible surface: 540.769	Positive charged surface: 298.703	Negative charged surface: 242.066	Volume: 285.625
Hydrophobic surface: 450.088	Hydrophilic surface: 90.681

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.