MMsINC Database Search


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MMsINC code: MMs02217277

Type: Neutral
Formula: C₈H₁₀N₄O₂

SMILES:

O=C1N(CC(=O)N(c2nc[nH]c12)C)C

InChI:

InChI=1/C8H10N4O2/c1-11-3-5(13)12(2)7-6(8(11)14)9-4-10-7/h4H,3H2,1-2H3,(H,9,10)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=29.5855 kcal/mol

Physical Properties
Molecular Weight: 194.194 g/mol	logS: -0.73836	SlogP: -0.5419	Reactive groups: 0

Topological Properties
Globularity: 0.132872	Sterimol/B1: 2.71225	Sterimol/B2: 3.69953	Sterimol/B3: 4.34188
Sterimol/B4: 4.88916	Sterimol/L: 10.0718

Surface and Volume Properties
Accessible surface: 369.853	Positive charged surface: 296.807	Negative charged surface: 73.0453	Volume: 174
Hydrophobic surface: 239.677	Hydrophilic surface: 130.176

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.