MMsINC Database Search


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MMsINC code: MMs01451494

Type: Neutral
Formula: C₁₂H₈ClF₂NO₂S

SMILES:

Clc1ccccc1S(=O)(=O)Nc1ccc(F)cc1F

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=39.4066 kcal/mol

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

Topological Properties
Globularity: 0.149536	Sterimol/B1: 2.88339	Sterimol/B2: 3.4936	Sterimol/B3: 4.37296
Sterimol/B4: 6.2272	Sterimol/L: 12.0837

Surface and Volume Properties
Accessible surface: 445.503	Positive charged surface: 165.206	Negative charged surface: 280.298	Volume: 231.375
Hydrophobic surface: 370.968	Hydrophilic surface: 74.535

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.