MMsINC Database Search


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MMsINC code: MMs02059823

Type: Neutral
Formula: C₁₆H₁₆F₂N₂O₃S₂

SMILES:

s1cccc1S(=O)(=O)N1CCCC1CNC(=O)c1c(F)cccc1F

InChI:

InChI=1/C16H16F2N2O3S2/c17-12-5-1-6-13(18)15(12)16(21)19-10-11-4-2-8-20(11)25(22,23)14-7-3-9-24-14/h1,3,5-7,9,11H,2,4,8,10H2,(H,19,21)/t11-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.843 kcal/mol

Physical Properties
Molecular Weight: 386.443 g/mol	logS: -4.34626	SlogP: 2.6094	Reactive groups: 0

Topological Properties
Globularity: 0.0981394	Sterimol/B1: 3.7021	Sterimol/B2: 4.53898	Sterimol/B3: 5.59576
Sterimol/B4: 5.79415	Sterimol/L: 15.7179

Surface and Volume Properties
Accessible surface: 582.609	Positive charged surface: 289.587	Negative charged surface: 293.022	Volume: 318.625
Hydrophobic surface: 493.756	Hydrophilic surface: 88.853

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.