MMsINC Database Search


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MMsINC code: MMs01457935

Type: Neutral
Formula: C₁₆H₁₄F₂N₂O₄S

SMILES:

S(=O)(=O)(C(F)F)c1ccc(cc1)C(=O)Nc1ccc(NC(=O)C)cc1

InChI:

InChI=1/C16H14F2N2O4S/c1-10(21)19-12-4-6-13(7-5-12)20-15(22)11-2-8-14(9-3-11)25(23,24)16(17)18/h2-9,16H,1H3,(H,19,21)(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=112.297 kcal/mol

Physical Properties
Molecular Weight: 368.36 g/mol	logS: -3.78888	SlogP: 3.3135	Reactive groups: 0

Topological Properties
Globularity: 0.0218782	Sterimol/B1: 3.42545	Sterimol/B2: 3.46338	Sterimol/B3: 3.56801
Sterimol/B4: 4.49877	Sterimol/L: 19.6235

Surface and Volume Properties
Accessible surface: 572.92	Positive charged surface: 277.878	Negative charged surface: 295.041	Volume: 302
Hydrophobic surface: 351.126	Hydrophilic surface: 221.794

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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.