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MMsINC code: MMs03255997

Type: Neutral
Formula: C₁₅H₁₇N₃O₅S₂

SMILES:

S(=O)(=O)(Nc1cc(S(=O)(=O)N)ccc1C)c1ccc(NC(=O)C)cc1

InChI:

InChI=1/C15H17N3O5S2/c1-10-3-6-14(24(16,20)21)9-15(10)18-25(22,23)13-7-4-12(5-8-13)17-11(2)19/h3-9,18H,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)=40.7979 kcal/mol

Physical Properties
Molecular Weight: 383.449 g/mol	logS: -3.64325	SlogP: 1.40162	Reactive groups: 0

Topological Properties
Globularity: 0.173272	Sterimol/B1: 2.09449	Sterimol/B2: 2.81945	Sterimol/B3: 6.44211
Sterimol/B4: 8.66943	Sterimol/L: 14.7601

Surface and Volume Properties
Accessible surface: 572.618	Positive charged surface: 285.281	Negative charged surface: 287.337	Volume: 316.875
Hydrophobic surface: 329.291	Hydrophilic surface: 243.327

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

MMs03255998
PUBCHEM-ZINC05392740