MMsINC Database Search


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MMsINC code: MMs02267572

Type: Neutral
Formula: C₁₆H₁₆N₂O₅S

SMILES:

S(=O)(=O)(NC(C(O)=O)C)c1ccc(NC(=O)c2ccccc2)cc1

InChI:

InChI=1/C16H16N2O5S/c1-11(16(20)21)18-24(22,23)14-9-7-13(8-10-14)17-15(19)12-5-3-2-4-6-12/h2-11,18H,1H3,(H,17,19)(H,20,21)/t11-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.9203 kcal/mol

Physical Properties
Molecular Weight: 348.379 g/mol	logS: -3.5159	SlogP: 1.6903	Reactive groups: 0

Topological Properties
Globularity: 0.0536684	Sterimol/B1: 3.04154	Sterimol/B2: 3.84751	Sterimol/B3: 4.81361
Sterimol/B4: 5.63388	Sterimol/L: 17.7288

Surface and Volume Properties
Accessible surface: 580.251	Positive charged surface: 298.802	Negative charged surface: 281.449	Volume: 301.25
Hydrophobic surface: 357.071	Hydrophilic surface: 223.18

Pharmacophoric Properties
Hydrogen bond donors: 4	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

MMs02267573
NCID-ZINC01618922