MMsINC Database Search


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MMsINC code: MMs02555221

Type: Neutral
Formula: C₁₂H₈ClF₂NO₂S

SMILES:

Clc1cc(S(=O)(=O)Nc2ccccc2F)ccc1F

InChI:

InChI=1/C12H8ClF2NO2S/c13-9-7-8(5-6-10(9)14)19(17,18)16-12-4-2-1-3-11(12)15/h1-7,16H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=41.5782 kcal/mol

Physical Properties
Molecular Weight: 303.716 g/mol	logS: -4.37097	SlogP: 3.419	Reactive groups: 0

Topological Properties
Globularity: 0.254727	Sterimol/B1: 3.37809	Sterimol/B2: 4.41002	Sterimol/B3: 4.72274
Sterimol/B4: 5.88867	Sterimol/L: 11.0761

Surface and Volume Properties
Accessible surface: 452.053	Positive charged surface: 170.235	Negative charged surface: 281.818	Volume: 233.625
Hydrophobic surface: 372.233	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.