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MMsINC code: MMs00264386

Type: Neutral
Formula: C₁₄H₁₅N₃O₅S₂

SMILES:

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

InChI:

InChI=1/C14H15N3O5S2/c1-10(18)16-11-2-8-14(9-3-11)24(21,22)17-12-4-6-13(7-5-12)23(15,19)20/h2-9,17H,1H3,(H,16,18)(H2,15,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=32.5622 kcal/mol

Physical Properties
Molecular Weight: 369.422 g/mol	logS: -3.48278	SlogP: 1.0932	Reactive groups: 0

Topological Properties
Globularity: 0.100819	Sterimol/B1: 2.58129	Sterimol/B2: 3.81786	Sterimol/B3: 3.91254
Sterimol/B4: 8.52392	Sterimol/L: 16.0895

Surface and Volume Properties
Accessible surface: 572.399	Positive charged surface: 294.405	Negative charged surface: 277.995	Volume: 298.25
Hydrophobic surface: 307.387	Hydrophilic surface: 265.012

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

MMs00264387
ASINEX-ZINC02165131