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MMsINC code: MMs02309820

Type: Neutral
Formula: C₅H₉N₃O₃

SMILES:

O=C(N)C(NC(=O)C)C(=O)N

InChI:

InChI=1/C5H9N3O3/c1-2(9)8-3(4(6)10)5(7)11/h3H,1H3,(H2,6,10)(H2,7,11)(H,8,9)


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=28.8892 kcal/mol

Physical Properties
Molecular Weight: 159.145 g/mol	logS: -0.32759	SlogP: -2.5383	Reactive groups: 0

Topological Properties
Globularity: 0.122395	Sterimol/B1: 3.00049	Sterimol/B2: 3.47235	Sterimol/B3: 3.6538
Sterimol/B4: 4.07547	Sterimol/L: 9.98385

Surface and Volume Properties
Accessible surface: 339.707	Positive charged surface: 207.936	Negative charged surface: 131.771	Volume: 136.125
Hydrophobic surface: 94.6878	Hydrophilic surface: 245.0192

Pharmacophoric Properties
Hydrogen bond donors: 3	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

MMs02309822
NCID-ZINC01674131