MMsINC Database Search


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MMsINC code: MMs02760588

Type: Neutral
Formula: C₁₉H₁₆F₂N₂O₃S

SMILES:

S(=O)(=O)(Nc1ncccc1OCc1cc(F)cc(F)c1)c1ccc(cc1)C

InChI:

InChI=1/C19H16F2N2O3S/c1-13-4-6-17(7-5-13)27(24,25)23-19-18(3-2-8-22-19)26-12-14-9-15(20)11-16(21)10-14/h2-11H,12H2,1H3,(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.5151 kcal/mol

Physical Properties
Molecular Weight: 390.41 g/mol	logS: -4.982	SlogP: 4.31442	Reactive groups: 0

Topological Properties
Globularity: 0.10616	Sterimol/B1: 2.12447	Sterimol/B2: 3.30881	Sterimol/B3: 6.4508
Sterimol/B4: 7.17115	Sterimol/L: 17.0282

Surface and Volume Properties
Accessible surface: 618.03	Positive charged surface: 320.635	Negative charged surface: 297.396	Volume: 333.5
Hydrophobic surface: 525.835	Hydrophilic surface: 92.195

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.