MMsINC Database Search


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MMsINC code: MMs01557423

Type: Neutral
Formula: C₁₆H₁₃FN₂O₄S

SMILES:

S1(=O)(=O)N(CC(=O)Nc2cc(F)ccc2C)C(=O)c2c1cccc2

InChI:

InChI=1/C16H13FN2O4S/c1-10-6-7-11(17)8-13(10)18-15(20)9-19-16(21)12-4-2-3-5-14(12)24(19,22)23/h2-8H,9H2,1H3,(H,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.646 kcal/mol

Physical Properties
Molecular Weight: 348.354 g/mol	logS: -4.27835	SlogP: 1.91732	Reactive groups: 0

Topological Properties
Globularity: 0.0770518	Sterimol/B1: 2.22793	Sterimol/B2: 3.75749	Sterimol/B3: 4.77034
Sterimol/B4: 6.95193	Sterimol/L: 16.2727

Surface and Volume Properties
Accessible surface: 548.975	Positive charged surface: 266.504	Negative charged surface: 282.471	Volume: 286.875
Hydrophobic surface: 419.242	Hydrophilic surface: 129.733

Pharmacophoric Properties
Hydrogen bond donors: 1	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.