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MMsINC code: MMs02374123

Type: Neutral
Formula: C₁₅H₁₇N₃O₅S₂

SMILES:

S(=O)(=O)(NC(=O)NCc1ccc(S(=O)(=O)N)cc1)c1ccc(cc1)C

InChI:

InChI=1/C15H17N3O5S2/c1-11-2-6-14(7-3-11)25(22,23)18-15(19)17-10-12-4-8-13(9-5-12)24(16,20)21/h2-9H,10H2,1H3,(H2,16,20,21)(H2,17,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-38.2759 kcal/mol

Physical Properties
Molecular Weight: 383.449 g/mol	logS: -4.11971	SlogP: 1.09692	Reactive groups: 0

Topological Properties
Globularity: 0.056764	Sterimol/B1: 2.07819	Sterimol/B2: 3.41041	Sterimol/B3: 4.01343
Sterimol/B4: 7.5588	Sterimol/L: 18.6423

Surface and Volume Properties
Accessible surface: 615.371	Positive charged surface: 320.102	Negative charged surface: 295.27	Volume: 317
Hydrophobic surface: 356.915	Hydrophilic surface: 258.456

Pharmacophoric Properties
Hydrogen bond donors: 3	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

MMs02374124
NCID-ZINC01862264