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MMsINC code: MMs01985015

Type: Neutral
Formula: C₁₅H₁₇N₃O₅S₂

SMILES:

S(=O)(=O)(N(C)C)c1ccc(cc1)C(=O)Nc1ccc(S(=O)(=O)N)cc1

InChI:

InChI=1/C15H17N3O5S2/c1-18(2)25(22,23)14-7-3-11(4-8-14)15(19)17-12-5-9-13(10-6-12)24(16,20)21/h3-10H,1-2H3,(H,17,19)(H2,16,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=45.0173 kcal/mol

Physical Properties
Molecular Weight: 383.449 g/mol	logS: -3.49504	SlogP: 0.8366	Reactive groups: 0

Topological Properties
Globularity: 0.0350914	Sterimol/B1: 2.03278	Sterimol/B2: 3.27276	Sterimol/B3: 4.40324
Sterimol/B4: 5.85791	Sterimol/L: 19.272

Surface and Volume Properties
Accessible surface: 601.664	Positive charged surface: 340.912	Negative charged surface: 260.751	Volume: 318.625
Hydrophobic surface: 378.148	Hydrophilic surface: 223.516

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 5	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

MMs01985016
IFLAB-ZINC01513929