MMsINC Database Search


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MMsINC code: MMs00088342

Type: Neutral
Formula: C₁₂H₁₀ClNO₂S

SMILES:

Clc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1

InChI:

InChI=1/C12H10ClNO2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8H,14H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.7723 kcal/mol

Physical Properties
Molecular Weight: 267.736 g/mol	logS: -3.8046	SlogP: 2.755	Reactive groups: 0

Topological Properties
Globularity: 0.151307	Sterimol/B1: 2.42111	Sterimol/B2: 4.20857	Sterimol/B3: 4.47293
Sterimol/B4: 4.82627	Sterimol/L: 13.7431

Surface and Volume Properties
Accessible surface: 452.359	Positive charged surface: 191.488	Negative charged surface: 260.87	Volume: 226.625
Hydrophobic surface: 332.7	Hydrophilic surface: 119.659

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.