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MMsINC code: MMs02934447

Type: Neutral
Formula: C₁₅H₁₇N₃O₅S₂

SMILES:

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

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=31.001 kcal/mol

Physical Properties
Molecular Weight: 383.449 g/mol	logS: -3.91982	SlogP: 0.55942	Reactive groups: 0

Topological Properties
Globularity: 0.0381904	Sterimol/B1: 2.3847	Sterimol/B2: 3.14259	Sterimol/B3: 4.15181
Sterimol/B4: 7.27811	Sterimol/L: 19.7411

Surface and Volume Properties
Accessible surface: 616.105	Positive charged surface: 318.35	Negative charged surface: 297.755	Volume: 316.875
Hydrophobic surface: 354.327	Hydrophilic surface: 261.778

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

MMs02934448
PUBCHEM-ZINC02837620