MMsINC Database Search


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MMsINC code: MMs02543437

Type: Neutral
Formula: C₁₆H₁₄F₆N₂O₄S₂

SMILES:

S(=O)(=O)(NC(C(NS(=O)(=O)C(F)(F)F)c1ccccc1)c1ccccc1)C(F)(F)F

InChI:

InChI=1/C16H14F6N2O4S2/c17-15(18,19)29(25,26)23-13(11-7-3-1-4-8-11)14(12-9-5-2-6-10-12)24-30(27,28)16(20,21)22/h1-10,13-14,23-24H/t13-,14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=144.38 kcal/mol

Physical Properties
Molecular Weight: 476.418 g/mol	logS: -5.02116	SlogP: 4.3782	Reactive groups: 0

Topological Properties
Globularity: 0.224669	Sterimol/B1: 3.58641	Sterimol/B2: 4.25637	Sterimol/B3: 4.661
Sterimol/B4: 6.76791	Sterimol/L: 14.0478

Surface and Volume Properties
Accessible surface: 564.616	Positive charged surface: 204.056	Negative charged surface: 360.56	Volume: 338.625
Hydrophobic surface: 289.676	Hydrophilic surface: 274.94

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.