MMsINC Database Search


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MMsINC code: MMs01506222

Type: Neutral
Formula: C₁₆H₁₇FN₂O₃S

SMILES:

S(=O)(=O)(N(C)C)c1ccc(NC(=O)Cc2ccccc2F)cc1

InChI:

InChI=1/C16H17FN2O3S/c1-19(2)23(21,22)14-9-7-13(8-10-14)18-16(20)11-12-5-3-4-6-15(12)17/h3-10H,11H2,1-2H3,(H,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.2285 kcal/mol

Physical Properties
Molecular Weight: 336.387 g/mol	logS: -3.62488	SlogP: 2.25717	Reactive groups: 0

Topological Properties
Globularity: 0.0490258	Sterimol/B1: 3.04766	Sterimol/B2: 4.04118	Sterimol/B3: 4.34821
Sterimol/B4: 4.77425	Sterimol/L: 17.2197

Surface and Volume Properties
Accessible surface: 565.107	Positive charged surface: 347.843	Negative charged surface: 217.264	Volume: 302.375
Hydrophobic surface: 470.764	Hydrophilic surface: 94.343

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.