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MMsINC code: MMs02376928

Type: Ionized
Formula: C₁₀H₁₂N₃O₄-

SMILES:

O=C1NC(=O)NC(C(=O)[O-])=C1N1CCCCC1

InChI:

InChI=1/C10H13N3O4/c14-8-7(13-4-2-1-3-5-13)6(9(15)16)11-10(17)12-8/h1-5H2,(H,15,16)(H2,11,12,14,17)/p-1


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=21.8023 kcal/mol

Physical Properties
Molecular Weight: 238.223 g/mol	logS: -1.68573	SlogP: -1.7268	Reactive groups: 0

Topological Properties
Globularity: 0.126785	Sterimol/B1: 3.15166	Sterimol/B2: 3.81538	Sterimol/B3: 4.12157
Sterimol/B4: 4.87571	Sterimol/L: 12.0659

Surface and Volume Properties
Accessible surface: 405.91	Positive charged surface: 258.498	Negative charged surface: 147.412	Volume: 205
Hydrophobic surface: 186.426	Hydrophilic surface: 219.484

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 2	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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Parent related molecule:

MMs02376927
NCID-ZINC01873004