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MMsINC code: MMs02949248

Type: Neutral
Formula: C₁₆H₁₆ClNO₅S

SMILES:

Clc1cc(S(=O)(=O)NC(C)c2ccccc2)ccc1OCC(O)=O

InChI:

InChI=1/C16H16ClNO5S/c1-11(12-5-3-2-4-6-12)18-24(21,22)13-7-8-15(14(17)9-13)23-10-16(19)20/h2-9,11,18H,10H2,1H3,(H,19,20)/t11-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=41.8944 kcal/mol

Physical Properties
Molecular Weight: 369.825 g/mol	logS: -4.09848	SlogP: 2.9384	Reactive groups: 0

Topological Properties
Globularity: 0.12623	Sterimol/B1: 3.79708	Sterimol/B2: 4.02802	Sterimol/B3: 5.06002
Sterimol/B4: 7.35583	Sterimol/L: 15.1696

Surface and Volume Properties
Accessible surface: 589.071	Positive charged surface: 282.539	Negative charged surface: 306.532	Volume: 313.5
Hydrophobic surface: 394.643	Hydrophilic surface: 194.428

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 5	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

MMs02949249
PUBCHEM-ZINC02872279