MMsINC Database Search


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MMsINC code: MMs00160407

Type: Neutral
Formula: C₈H₁₀N₄O₂S

SMILES:

Sc1nc2N(C)C(=O)N(C)C(=O)c2n1C

InChI:

InChI=1/C8H10N4O2S/c1-10-4-5(9-7(10)15)11(2)8(14)12(3)6(4)13/h1-3H3,(H,9,15)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-8.30862 kcal/mol

Physical Properties
Molecular Weight: 226.26 g/mol	logS: -2.30805	SlogP: 0.7098	Reactive groups: 0

Topological Properties
Globularity: 0.0416239	Sterimol/B1: 2.32614	Sterimol/B2: 2.62342	Sterimol/B3: 2.6956
Sterimol/B4: 6.35892	Sterimol/L: 11.4675

Surface and Volume Properties
Accessible surface: 400.011	Positive charged surface: 288.941	Negative charged surface: 111.07	Volume: 193
Hydrophobic surface: 246.132	Hydrophilic surface: 153.879

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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.