MMsINC Database Search


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MMsINC code: MMs01373458

Type: Neutral
Formula: C₁₅H₁₄ClNO₄S

SMILES:

Clc1cc(NS(=O)(=O)c2ccccc2C(OC)=O)c(cc1)C

InChI:

InChI=1/C15H14ClNO4S/c1-10-7-8-11(16)9-13(10)17-22(19,20)14-6-4-3-5-12(14)15(18)21-2/h3-9,17H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.3016 kcal/mol

Physical Properties
Molecular Weight: 339.799 g/mol	logS: -4.32321	SlogP: 3.23582	Reactive groups: 0

Topological Properties
Globularity: 0.27163	Sterimol/B1: 2.36437	Sterimol/B2: 3.33132	Sterimol/B3: 5.15053
Sterimol/B4: 8.71613	Sterimol/L: 13.1861

Surface and Volume Properties
Accessible surface: 514.826	Positive charged surface: 267.531	Negative charged surface: 247.294	Volume: 288.625
Hydrophobic surface: 435.369	Hydrophilic surface: 79.457

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.