MMsINC Database Search


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MMsINC code: MMs02136304

Type: Neutral
Formula: C₉H₁₀N₄O₂S₂

SMILES:

s1cccc1CS(=O)(=O)c1cnc(nc1N)N

InChI:

InChI=1/C9H10N4O2S2/c10-8-7(4-12-9(11)13-8)17(14,15)5-6-2-1-3-16-6/h1-4H,5H2,(H4,10,11,12,13)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-2.24018 kcal/mol

Physical Properties
Molecular Weight: 270.337 g/mol	logS: -2.35776	SlogP: 0.9428	Reactive groups: 0

Topological Properties
Globularity: 0.0415482	Sterimol/B1: 2.61062	Sterimol/B2: 3.26804	Sterimol/B3: 3.98191
Sterimol/B4: 4.84029	Sterimol/L: 14.8209

Surface and Volume Properties
Accessible surface: 442.921	Positive charged surface: 247.759	Negative charged surface: 195.162	Volume: 215.875
Hydrophobic surface: 230.861	Hydrophilic surface: 212.06

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.