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MMsINC code: MMs01406655

Type: Neutral
Formula: C₁₆H₁₂ClF₂NO₃S

SMILES:

Clc1ccccc1SCC(=O)NC(=O)c1ccc(OC(F)F)cc1

InChI:

InChI=1/C16H12ClF2NO3S/c17-12-3-1-2-4-13(12)24-9-14(21)20-15(22)10-5-7-11(8-6-10)23-16(18)19/h1-8,16H,9H2,(H,20,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.9347 kcal/mol

Physical Properties
Molecular Weight: 371.791 g/mol	logS: -5.6026	SlogP: 4.41	Reactive groups: 0

Topological Properties
Globularity: 0.00488915	Sterimol/B1: 2.53822	Sterimol/B2: 2.63678	Sterimol/B3: 2.63934
Sterimol/B4: 6.57985	Sterimol/L: 18.9342

Surface and Volume Properties
Accessible surface: 582.407	Positive charged surface: 252.964	Negative charged surface: 329.444	Volume: 305.375
Hydrophobic surface: 394.622	Hydrophilic surface: 187.785

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.