MMsINC Database Search


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MMsINC code: MMs02555182

Type: Neutral
Formula: C₁₂H₉ClFNO₂S

SMILES:

Clc1cc(S(=O)(=O)Nc2ccccc2F)ccc1

InChI:

InChI=1/C12H9ClFNO2S/c13-9-4-3-5-10(8-9)18(16,17)15-12-7-2-1-6-11(12)14/h1-8,15H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=38.4999 kcal/mol

Physical Properties
Molecular Weight: 285.726 g/mol	logS: -4.07599	SlogP: 3.2799	Reactive groups: 0

Topological Properties
Globularity: 0.255015	Sterimol/B1: 3.40417	Sterimol/B2: 4.46141	Sterimol/B3: 4.70982
Sterimol/B4: 5.83897	Sterimol/L: 11.0952

Surface and Volume Properties
Accessible surface: 447.059	Positive charged surface: 178.025	Negative charged surface: 269.034	Volume: 230.5
Hydrophobic surface: 367.239	Hydrophilic surface: 79.82

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.