MMsINC Database Search


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MMsINC code: MMs00062324

Type: Neutral
Formula: C₁₁H₉FN₂O₂S

SMILES:

S(=O)(=O)(Nc1cccnc1)c1ccc(F)cc1

InChI:

InChI=1/C11H9FN2O2S/c12-9-3-5-11(6-4-9)17(15,16)14-10-2-1-7-13-8-10/h1-8,14H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=39.6543 kcal/mol

Physical Properties
Molecular Weight: 252.269 g/mol	logS: -2.08356	SlogP: 2.0215	Reactive groups: 0

Topological Properties
Globularity: 0.251034	Sterimol/B1: 2.62932	Sterimol/B2: 2.96419	Sterimol/B3: 4.99362
Sterimol/B4: 6.04385	Sterimol/L: 10.9449

Surface and Volume Properties
Accessible surface: 417.747	Positive charged surface: 222.265	Negative charged surface: 195.482	Volume: 208.125
Hydrophobic surface: 321.878	Hydrophilic surface: 95.869

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.