MMsINC Database Search


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MMsINC code: MMs01448323

Type: Neutral
Formula: C₁₆H₁₆F₂N₂O₃S

SMILES:

S(=O)(=O)(N(CC(=O)NCc1ccc(F)cc1)C)c1ccc(F)cc1

InChI:

InChI=1/C16H16F2N2O3S/c1-20(24(22,23)15-8-6-14(18)7-9-15)11-16(21)19-10-12-2-4-13(17)5-3-12/h2-9H,10-11H2,1H3,(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=44.6299 kcal/mol

Physical Properties
Molecular Weight: 354.377 g/mol	logS: -3.82887	SlogP: 2.1681	Reactive groups: 0

Topological Properties
Globularity: 0.0533045	Sterimol/B1: 2.12466	Sterimol/B2: 2.96798	Sterimol/B3: 4.39587
Sterimol/B4: 7.53047	Sterimol/L: 17.5971

Surface and Volume Properties
Accessible surface: 581.034	Positive charged surface: 314.761	Negative charged surface: 266.273	Volume: 303.25
Hydrophobic surface: 482.644	Hydrophilic surface: 98.39

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.