MMsINC Database Search


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MMsINC code: MMs01589551

Type: Neutral
Formula: C₁₅H₁₆ClNO₃S

SMILES:

Clc1ccccc1S(=O)(=O)NC(C)c1ccccc1OC

InChI:

InChI=1/C15H16ClNO3S/c1-11(12-7-3-5-9-14(12)20-2)17-21(18,19)15-10-6-4-8-13(15)16/h3-11,17H,1-2H3/t11-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=35.2474 kcal/mol

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

Topological Properties
Globularity: 0.354992	Sterimol/B1: 2.16097	Sterimol/B2: 3.05295	Sterimol/B3: 6.4967
Sterimol/B4: 6.69354	Sterimol/L: 11.6108

Surface and Volume Properties
Accessible surface: 517.969	Positive charged surface: 285.421	Negative charged surface: 232.548	Volume: 286.25
Hydrophobic surface: 433.419	Hydrophilic surface: 84.55

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