MMsINC Database Search


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MMsINC code: MMs02361364

Type: Neutral
Formula: C₆H₈ClN₃O₄S₂

SMILES:

Clc1cc(S(=O)(=O)N)cc(S(=O)(=O)N)c1N

InChI:

InChI=1/C6H8ClN3O4S2/c7-4-1-3(15(9,11)12)2-5(6(4)8)16(10,13)14/h1-2H,8H2,(H2,9,11,12)(H2,10,13,14)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-2.28525 kcal/mol

Physical Properties
Molecular Weight: 285.732 g/mol	logS: -2.29327	SlogP: -0.783	Reactive groups: 0

Topological Properties
Globularity: 0.0930227	Sterimol/B1: 3.11521	Sterimol/B2: 3.5389	Sterimol/B3: 3.75637
Sterimol/B4: 6.48637	Sterimol/L: 11.4358

Surface and Volume Properties
Accessible surface: 414.095	Positive charged surface: 168.322	Negative charged surface: 245.773	Volume: 193.625
Hydrophobic surface: 121.811	Hydrophilic surface: 292.284

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 4	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

MMs02361365
NCID-ZINC01748056