MMsINC Database Search


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MMsINC code: MMs01273524

Type: Neutral
Formula: C₁₅H₁₄ClNO₄S

SMILES:

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

InChI:

InChI=1/C15H14ClNO4S/c1-10-9-11(16)7-8-13(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)=63.4069 kcal/mol

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

Topological Properties
Globularity: 0.277713	Sterimol/B1: 2.35183	Sterimol/B2: 3.61698	Sterimol/B3: 5.10757
Sterimol/B4: 8.67992	Sterimol/L: 13.3187

Surface and Volume Properties
Accessible surface: 514.44	Positive charged surface: 268.832	Negative charged surface: 245.608	Volume: 287.25
Hydrophobic surface: 434.984	Hydrophilic surface: 79.456

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.