MMsINC Database Search


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MMsINC code: MMs01538340

Type: Neutral
Formula: C₁₀H₁₃ClN₂O₃S

SMILES:

Clc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C

InChI:

InChI=1/C10H13ClN2O3S/c1-7(14)12-10-6-8(4-5-9(10)11)17(15,16)13(2)3/h4-6H,1-3H3,(H,12,14)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=39.2703 kcal/mol

Physical Properties
Molecular Weight: 276.744 g/mol	logS: -2.24218	SlogP: 1.5487	Reactive groups: 0

Topological Properties
Globularity: 0.0861384	Sterimol/B1: 2.87087	Sterimol/B2: 3.18471	Sterimol/B3: 3.78871
Sterimol/B4: 6.73479	Sterimol/L: 13.2438

Surface and Volume Properties
Accessible surface: 464.584	Positive charged surface: 268.206	Negative charged surface: 196.378	Volume: 232.875
Hydrophobic surface: 364.44	Hydrophilic surface: 100.144

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.