MMsINC Database Search


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MMsINC code: MMs01651871

Type: Neutral
Formula: C₁₂H₁₀F₂N₂O₂S

SMILES:

S(=O)(=O)(NCc1ncccc1)c1ccc(F)cc1F

InChI:

InChI=1/C12H10F2N2O2S/c13-9-4-5-12(11(14)7-9)19(17,18)16-8-10-3-1-2-6-15-10/h1-7,16H,8H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=14.785 kcal/mol

Physical Properties
Molecular Weight: 284.286 g/mol	logS: -2.4755	SlogP: 2.1047	Reactive groups: 0

Topological Properties
Globularity: 0.0908018	Sterimol/B1: 2.27136	Sterimol/B2: 2.36587	Sterimol/B3: 4.27621
Sterimol/B4: 5.95067	Sterimol/L: 14.2585

Surface and Volume Properties
Accessible surface: 460.988	Positive charged surface: 227.196	Negative charged surface: 233.792	Volume: 231.25
Hydrophobic surface: 362.723	Hydrophilic surface: 98.265

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.