MMsINC Database Search


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MMsINC code: MMs02298383

Type: Neutral
Formula: C₅H₆N₂O₃

SMILES:

O=C1NC(=O)NC(=O)C1C

InChI:

InChI=1/C5H6N2O3/c1-2-3(8)6-5(10)7-4(2)9/h2H,1H3,(H2,6,7,8,9,10)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-32.9422 kcal/mol

Physical Properties
Molecular Weight: 142.114 g/mol	logS: -0.61148	SlogP: -1.0115	Reactive groups: 0

Topological Properties
Globularity: 0.134729	Sterimol/B1: 2.50431	Sterimol/B2: 3.4782	Sterimol/B3: 4.11515
Sterimol/B4: 4.11616	Sterimol/L: 8.90984

Surface and Volume Properties
Accessible surface: 282.223	Positive charged surface: 158.383	Negative charged surface: 123.84	Volume: 115.375
Hydrophobic surface: 68.6546	Hydrophilic surface: 213.5684

Pharmacophoric Properties
Hydrogen bond donors: 2	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.