MMsINC Database Search


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MMsINC code: MMs02669085

Type: Neutral
Formula: C₁₅H₁₆ClNO₃S

SMILES:

Clc1cc(S(=O)(=O)NC(C)c2ccccc2)c(OC)cc1

InChI:

InChI=1/C15H16ClNO3S/c1-11(12-6-4-3-5-7-12)17-21(18,19)15-10-13(16)8-9-14(15)20-2/h3-11,17H,1-2H3/t11-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=33.9191 kcal/mol

Physical Properties
Molecular Weight: 325.816 g/mol	logS: -4.10264	SlogP: 3.4836	Reactive groups: 0

Topological Properties
Globularity: 0.104301	Sterimol/B1: 2.27371	Sterimol/B2: 5.42048	Sterimol/B3: 5.56687
Sterimol/B4: 6.03489	Sterimol/L: 14.4158

Surface and Volume Properties
Accessible surface: 534.536	Positive charged surface: 267.599	Negative charged surface: 266.937	Volume: 285.625
Hydrophobic surface: 448.106	Hydrophilic surface: 86.43

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.