MMsINC Database Search


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MMsINC code: MMs01706858

Type: Neutral
Formula: C₁₆H₁₇FN₂O₃S

SMILES:

S(=O)(=O)(NCc1ccc(F)cc1)c1ccc(cc1)CNC(=O)C

InChI:

InChI=1/C16H17FN2O3S/c1-12(20)18-10-13-4-8-16(9-5-13)23(21,22)19-11-14-2-6-15(17)7-3-14/h2-9,19H,10-11H2,1H3,(H,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=11.6338 kcal/mol

Physical Properties
Molecular Weight: 336.387 g/mol	logS: -3.43923	SlogP: 2.4731	Reactive groups: 0

Topological Properties
Globularity: 0.0508104	Sterimol/B1: 3.16381	Sterimol/B2: 4.33885	Sterimol/B3: 4.40999
Sterimol/B4: 4.74568	Sterimol/L: 19.15

Surface and Volume Properties
Accessible surface: 589.791	Positive charged surface: 313.067	Negative charged surface: 276.724	Volume: 298
Hydrophobic surface: 443.539	Hydrophilic surface: 146.252

Pharmacophoric Properties
Hydrogen bond donors: 2	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.