MMsINC Database Search


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MMsINC code: MMs02465418

Type: Neutral
Formula: C₁₀H₁₀N₄O₂S

SMILES:

S(=O)(=O)(Nc1ncccn1)c1cc(N)ccc1

InChI:

InChI=1/C10H10N4O2S/c11-8-3-1-4-9(7-8)17(15,16)14-10-12-5-2-6-13-10/h1-7H,11H2,(H,12,13,14)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-6.44555 kcal/mol

Physical Properties
Molecular Weight: 250.282 g/mol	logS: -2.2722	SlogP: 0.8596	Reactive groups: 0

Topological Properties
Globularity: 0.130585	Sterimol/B1: 2.5079	Sterimol/B2: 3.51313	Sterimol/B3: 3.89685
Sterimol/B4: 6.60601	Sterimol/L: 12.5092

Surface and Volume Properties
Accessible surface: 420.878	Positive charged surface: 258.365	Negative charged surface: 162.514	Volume: 212.125
Hydrophobic surface: 246.729	Hydrophilic surface: 174.149

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.