MMsINC Database Search


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MMsINC code: MMs00849477

Type: Neutral
Formula: C₁₁H₉FN₂O₂S

SMILES:

S(=O)(=O)(Nc1ncccc1)c1ccc(F)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=12.8466 kcal/mol

Physical Properties
Molecular Weight: 252.269 g/mol	logS: -2.39482	SlogP: 2.0215	Reactive groups: 0

Topological Properties
Globularity: 0.148151	Sterimol/B1: 2.28665	Sterimol/B2: 3.95696	Sterimol/B3: 5.08018
Sterimol/B4: 5.1382	Sterimol/L: 11.6014

Surface and Volume Properties
Accessible surface: 422.025	Positive charged surface: 206.945	Negative charged surface: 215.08	Volume: 208.25
Hydrophobic surface: 332.107	Hydrophilic surface: 89.918

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.