MMsINC Database Search


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MMsINC code: MMs02303692

Type: Neutral
Formula: C₈H₈N₄O₂S₂

SMILES:

s1cnnc1NS(=O)(=O)c1ccc(N)cc1

InChI:

InChI=1/C8H8N4O2S2/c9-6-1-3-7(4-2-6)16(13,14)12-8-11-10-5-15-8/h1-5H,9H2,(H,11,12)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=15.8979 kcal/mol

Physical Properties
Molecular Weight: 256.31 g/mol	logS: -2.70581	SlogP: 0.9211	Reactive groups: 0

Topological Properties
Globularity: 0.122129	Sterimol/B1: 2.94932	Sterimol/B2: 4.34125	Sterimol/B3: 4.56646
Sterimol/B4: 5.08732	Sterimol/L: 11.8996

Surface and Volume Properties
Accessible surface: 417.293	Positive charged surface: 210.863	Negative charged surface: 206.431	Volume: 201.625
Hydrophobic surface: 200.059	Hydrophilic surface: 217.234

Pharmacophoric Properties
Hydrogen bond donors: 2	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: no related molecules available.