MMsINC Database Search


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MMsINC code: MMs01589469

Type: Neutral
Formula: C₁₆H₁₆FNO₃S

SMILES:

S(=O)(=O)(NC(C)c1ccc(F)cc1)c1ccc(cc1)C(=O)C

InChI:

InChI=1/C16H16FNO3S/c1-11(13-3-7-15(17)8-4-13)18-22(20,21)16-9-5-14(6-10-16)12(2)19/h3-11,18H,1-2H3/t11-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=40.996 kcal/mol

Physical Properties
Molecular Weight: 321.372 g/mol	logS: -3.92522	SlogP: 3.1633	Reactive groups: 0

Topological Properties
Globularity: 0.177966	Sterimol/B1: 2.36016	Sterimol/B2: 3.5412	Sterimol/B3: 5.76647
Sterimol/B4: 7.05658	Sterimol/L: 13.9347

Surface and Volume Properties
Accessible surface: 534.279	Positive charged surface: 257.823	Negative charged surface: 276.457	Volume: 287
Hydrophobic surface: 403.864	Hydrophilic surface: 130.415

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.