MMsINC Database Search


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MMsINC code: MMs01590340

Type: Neutral
Formula: C₁₃H₁₁ClFNO₂S

SMILES:

Clc1ccc(S(=O)(=O)Nc2cc(F)c(cc2)C)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=33.1126 kcal/mol

Physical Properties
Molecular Weight: 299.753 g/mol	logS: -4.23646	SlogP: 3.58832	Reactive groups: 0

Topological Properties
Globularity: 0.198146	Sterimol/B1: 3.72619	Sterimol/B2: 4.0041	Sterimol/B3: 4.33743
Sterimol/B4: 6.0969	Sterimol/L: 12.6342

Surface and Volume Properties
Accessible surface: 480.991	Positive charged surface: 206.235	Negative charged surface: 274.756	Volume: 246.75
Hydrophobic surface: 400.092	Hydrophilic surface: 80.899

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.