MMsINC Database Search


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MMsINC code: MMs02687277

Type: Neutral
Formula: C₁₃H₁₁ClFNO₂S

SMILES:

Clc1cc(F)c(NS(=O)(=O)c2ccc(cc2)C)cc1

InChI:

InChI=1/C13H11ClFNO2S/c1-9-2-5-11(6-3-9)19(17,18)16-13-7-4-10(14)8-12(13)15/h2-8,16H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=41.6205 kcal/mol

Physical Properties
Molecular Weight: 299.753 g/mol	logS: -4.54991	SlogP: 3.58832	Reactive groups: 0

Topological Properties
Globularity: 0.196704	Sterimol/B1: 3.73302	Sterimol/B2: 3.85605	Sterimol/B3: 4.28256
Sterimol/B4: 6.96178	Sterimol/L: 12.5985

Surface and Volume Properties
Accessible surface: 476.222	Positive charged surface: 201.943	Negative charged surface: 274.279	Volume: 246.75
Hydrophobic surface: 395.583	Hydrophilic surface: 80.639

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.