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MMsINC code: MMs03193692

Type: Neutral
Formula: C₁₁H₁₄N₄O₅

SMILES:

o1c(ccc1[N+](=O)[O-])\C=N\NC(=O)CN1CCOCC1

InChI:

InChI=1/C11H14N4O5/c16-10(8-14-3-5-19-6-4-14)13-12-7-9-1-2-11(20-9)15(17)18/h1-2,7H,3-6,8H2,(H,13,16)/b12-7+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=121.76 kcal/mol

Physical Properties
Molecular Weight: 282.256 g/mol	logS: -2.81268	SlogP: -0.0299	Reactive groups: 0

Topological Properties
Globularity: 0.0244498	Sterimol/B1: 2.55932	Sterimol/B2: 3.04269	Sterimol/B3: 3.34765
Sterimol/B4: 6.33308	Sterimol/L: 17.2093

Surface and Volume Properties
Accessible surface: 521.562	Positive charged surface: 336.651	Negative charged surface: 184.911	Volume: 243.25
Hydrophobic surface: 311.9	Hydrophilic surface: 209.662

Pharmacophoric Properties
Hydrogen bond donors: 1	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

MMs03193693
PUBCHEM-ZINC05050228