MMsINC Database Search


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MMsINC code: MMs01455344

Type: Neutral
Formula: C₁₇H₁₉FN₂O₃S

SMILES:

S(=O)(=O)(N(Cc1cc(F)ccc1)C)c1ccc(cc1)CNC(=O)C

InChI:

InChI=1/C17H19FN2O3S/c1-13(21)19-11-14-6-8-17(9-7-14)24(22,23)20(2)12-15-4-3-5-16(18)10-15/h3-10H,11-12H2,1-2H3,(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=31.3733 kcal/mol

Physical Properties
Molecular Weight: 350.414 g/mol	logS: -3.51481	SlogP: 2.8153	Reactive groups: 0

Topological Properties
Globularity: 0.0410793	Sterimol/B1: 3.53922	Sterimol/B2: 3.74585	Sterimol/B3: 4.0823
Sterimol/B4: 5.06307	Sterimol/L: 19.3219

Surface and Volume Properties
Accessible surface: 593.346	Positive charged surface: 341.93	Negative charged surface: 251.415	Volume: 318
Hydrophobic surface: 478.306	Hydrophilic surface: 115.04

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.