MMsINC Database Search


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MMsINC code: MMs01248390

Type: Neutral
Formula: C₁₃H₁₁ClFNO₂S

SMILES:

Clc1cc(NS(=O)(=O)c2ccc(cc2)C)ccc1F

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=32.2445 kcal/mol

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

Topological Properties
Globularity: 0.157347	Sterimol/B1: 3.2084	Sterimol/B2: 3.68014	Sterimol/B3: 3.68962
Sterimol/B4: 6.84262	Sterimol/L: 13.5253

Surface and Volume Properties
Accessible surface: 474.257	Positive charged surface: 214.03	Negative charged surface: 260.227	Volume: 247.5
Hydrophobic surface: 392.657	Hydrophilic surface: 81.6

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.