MMsINC Database Search


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MMsINC code: MMs02949513

Type: Neutral
Formula: C₁₅H₁₆ClNO₃S

SMILES:

Clc1ccccc1CS(=O)(=O)NCCOc1ccccc1

InChI:

InChI=1/C15H16ClNO3S/c16-15-9-5-4-6-13(15)12-21(18,19)17-10-11-20-14-7-2-1-3-8-14/h1-9,17H,10-12H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=48.3227 kcal/mol

Physical Properties
Molecular Weight: 325.816 g/mol	logS: -3.74591	SlogP: 3.1048	Reactive groups: 0

Topological Properties
Globularity: 0.026408	Sterimol/B1: 2.72458	Sterimol/B2: 3.92501	Sterimol/B3: 4.19536
Sterimol/B4: 4.30628	Sterimol/L: 18.4917

Surface and Volume Properties
Accessible surface: 563.31	Positive charged surface: 291.763	Negative charged surface: 271.548	Volume: 288.875
Hydrophobic surface: 489.302	Hydrophilic surface: 74.008

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.