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MMsINC code: MMs02374645

Type: Neutral
Formula: C₁₃H₁₄N₄O₅S₂

SMILES:

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

InChI:

InChI=1/C13H14N4O5S2/c14-13(18)16-9-1-7-12(8-2-9)24(21,22)17-10-3-5-11(6-4-10)23(15,19)20/h1-8,17H,(H3,14,16,18)(H2,15,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=8.60046 kcal/mol

Physical Properties
Molecular Weight: 370.41 g/mol	logS: -3.42263	SlogP: 0.6254	Reactive groups: 0

Topological Properties
Globularity: 0.100664	Sterimol/B1: 3.28906	Sterimol/B2: 4.42689	Sterimol/B3: 4.43582
Sterimol/B4: 6.47246	Sterimol/L: 15.3026

Surface and Volume Properties
Accessible surface: 558.272	Positive charged surface: 295.149	Negative charged surface: 263.124	Volume: 289.125
Hydrophobic surface: 219.902	Hydrophilic surface: 338.37

Pharmacophoric Properties
Hydrogen bond donors: 4	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

MMs02374646
NCID-ZINC01863777