MMsINC Database Search


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MMsINC code: MMs02332235

Type: Neutral
Formula: C₆H₈N₂O₂S₂

SMILES:

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

InChI:

InChI=1/C6H8N2O2S2/c7-5-1-3-6(4-2-5)11-12(8,9)10/h1-4H,7H2,(H2,8,9,10)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=1.64984 kcal/mol

Physical Properties
Molecular Weight: 204.274 g/mol	logS: -2.43617	SlogP: 0.5644	Reactive groups: 0

Topological Properties
Globularity: 0.0789383	Sterimol/B1: 2.79491	Sterimol/B2: 3.12477	Sterimol/B3: 3.63286
Sterimol/B4: 4.84757	Sterimol/L: 11.6713

Surface and Volume Properties
Accessible surface: 364.255	Positive charged surface: 180.745	Negative charged surface: 183.51	Volume: 163.625
Hydrophobic surface: 137.076	Hydrophilic surface: 227.179

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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.