MMsINC Database Search


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MMsINC code: MMs01506165

Type: Neutral
Formula: C₁₇H₁₆N₂O₄S

SMILES:

S(=O)(=O)(N(C)C)c1ccc(NC(=O)c2oc3c(c2)cccc3)cc1

InChI:

InChI=1/C17H16N2O4S/c1-19(2)24(21,22)14-9-7-13(8-10-14)18-17(20)16-11-12-5-3-4-6-15(12)23-16/h3-11H,1-2H3,(H,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.1815 kcal/mol

Physical Properties
Molecular Weight: 344.391 g/mol	logS: -4.86668	SlogP: 2.9354	Reactive groups: 0

Topological Properties
Globularity: 0.0315882	Sterimol/B1: 2.17677	Sterimol/B2: 3.52989	Sterimol/B3: 4.26143
Sterimol/B4: 5.82537	Sterimol/L: 18.6448

Surface and Volume Properties
Accessible surface: 581.658	Positive charged surface: 348.834	Negative charged surface: 226.576	Volume: 307.625
Hydrophobic surface: 472.208	Hydrophilic surface: 109.45

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.