MMsINC Database Search


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MMsINC code: MMs02816485

Type: Neutral
Formula: C₈H₁₀N₄OS₂

SMILES:

S(C)c1[nH]c2c(n1)N(C)C(=S)N(C)C2=O

InChI:

InChI=1/C8H10N4OS2/c1-11-5-4(9-7(10-5)15-3)6(13)12(2)8(11)14/h1-3H3,(H,9,10)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=5.24753 kcal/mol

Physical Properties
Molecular Weight: 242.327 g/mol	logS: -3.88936	SlogP: 0.9383	Reactive groups: 0

Topological Properties
Globularity: 0.0230327	Sterimol/B1: 2.0968	Sterimol/B2: 2.37585	Sterimol/B3: 2.51314
Sterimol/B4: 6.8922	Sterimol/L: 12.9231

Surface and Volume Properties
Accessible surface: 416.06	Positive charged surface: 258.683	Negative charged surface: 157.377	Volume: 205.125
Hydrophobic surface: 217.024	Hydrophilic surface: 199.036

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.