MMsINC Database Search


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MMsINC code: MMs01621133

Type: Neutral
Formula: C₁₆H₁₆F₂N₂O₃S₂

SMILES:

S(C(F)F)c1ccc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1

InChI:

InChI=1/C16H16F2N2O3S2/c1-20(2)25(22,23)14-9-3-11(4-10-14)15(21)19-12-5-7-13(8-6-12)24-16(17)18/h3-10,16H,1-2H3,(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.046 kcal/mol

Physical Properties
Molecular Weight: 386.443 g/mol	logS: -4.3737	SlogP: 3.9238	Reactive groups: 0

Topological Properties
Globularity: 0.037775	Sterimol/B1: 1.969	Sterimol/B2: 3.56784	Sterimol/B3: 4.23107
Sterimol/B4: 6.17174	Sterimol/L: 19.246

Surface and Volume Properties
Accessible surface: 597.38	Positive charged surface: 317.625	Negative charged surface: 279.755	Volume: 321.75
Hydrophobic surface: 393.833	Hydrophilic surface: 203.547

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.