MMsINC Database Search


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MMsINC code: MMs02058136

Type: Neutral
Formula: C₁₉H₁₅F₂NO₄S

SMILES:

S(=O)(=O)(C(CNC(=O)c1c(F)cccc1F)c1occc1)c1ccccc1

InChI:

InChI=1/C19H15F2NO4S/c20-14-8-4-9-15(21)18(14)19(23)22-12-17(16-10-5-11-26-16)27(24,25)13-6-2-1-3-7-13/h1-11,17H,12H2,(H,22,23)/t17-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.8531 kcal/mol

Physical Properties
Molecular Weight: 391.394 g/mol	logS: -5.57547	SlogP: 3.5983	Reactive groups: 0

Topological Properties
Globularity: 0.0899175	Sterimol/B1: 2.67721	Sterimol/B2: 3.48899	Sterimol/B3: 4.27114
Sterimol/B4: 7.93222	Sterimol/L: 15.8745

Surface and Volume Properties
Accessible surface: 601.587	Positive charged surface: 281.912	Negative charged surface: 319.676	Volume: 332.25
Hydrophobic surface: 522.095	Hydrophilic surface: 79.492

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.