MMsINC Database Search


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MMsINC code: MMs01514946

Type: Neutral
Formula: C₁₆H₁₇FN₂O₃S

SMILES:

S(=O)(=O)(N(CC(=O)Nc1ccccc1C)C)c1ccc(F)cc1

InChI:

InChI=1/C16H17FN2O3S/c1-12-5-3-4-6-15(12)18-16(20)11-19(2)23(21,22)14-9-7-13(17)8-10-14/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)=68.7718 kcal/mol

Physical Properties
Molecular Weight: 336.387 g/mol	logS: -3.75032	SlogP: 2.39332	Reactive groups: 0

Topological Properties
Globularity: 0.103492	Sterimol/B1: 3.64221	Sterimol/B2: 3.69739	Sterimol/B3: 3.86899
Sterimol/B4: 7.32704	Sterimol/L: 13.2247

Surface and Volume Properties
Accessible surface: 530.417	Positive charged surface: 300.029	Negative charged surface: 230.389	Volume: 301.5
Hydrophobic surface: 447.16	Hydrophilic surface: 83.257

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.