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MMsINC code: MMs01895647

Type: Neutral
Formula: C₁₀H₁₆N₄O₃

SMILES:

O=C\1N(C)C(=O)NC(=O)/C/1=C/NCCN(C)C

InChI:

InChI=1/C10H16N4O3/c1-13(2)5-4-11-6-7-8(15)12-10(17)14(3)9(7)16/h6,11H,4-5H2,1-3H3,(H,12,15,17)/b7-6+


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=9.61224 kcal/mol

Physical Properties
Molecular Weight: 240.263 g/mol	logS: -0.36879	SlogP: -1.2703	Reactive groups: 0

Topological Properties
Globularity: 0.0225396	Sterimol/B1: 2.8487	Sterimol/B2: 2.90651	Sterimol/B3: 3.07357
Sterimol/B4: 5.13284	Sterimol/L: 15.4788

Surface and Volume Properties
Accessible surface: 467.597	Positive charged surface: 371.118	Negative charged surface: 96.4789	Volume: 224.75
Hydrophobic surface: 308.187	Hydrophilic surface: 159.41

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

MMs01895650
IBS-ZINC04812073