MMsINC Database Search


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MMsINC code: MMs01517482

Type: Neutral
Formula: C₁₃H₁₁ClFNO₂S

SMILES:

Clc1cc(NS(=O)(=O)c2ccccc2F)ccc1C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=28.7284 kcal/mol

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

Topological Properties
Globularity: 0.245207	Sterimol/B1: 3.20197	Sterimol/B2: 3.60915	Sterimol/B3: 4.7519
Sterimol/B4: 6.02992	Sterimol/L: 12.0146

Surface and Volume Properties
Accessible surface: 467.199	Positive charged surface: 205.257	Negative charged surface: 261.942	Volume: 248
Hydrophobic surface: 389.049	Hydrophilic surface: 78.15

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.