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MMsINC code: MMs03206793

Type: Neutral
Formula: C₈H₁₄N₄O₆

SMILES:

O1C(CO)C(O)C(O)C1N(\C=N\NC=O)C(=O)N

InChI:

InChI=1/C8H14N4O6/c9-8(17)12(2-10-11-3-14)7-6(16)5(15)4(1-13)18-7/h2-7,13,15-16H,1H2,(H2,9,17)(H,11,14)/b10-2+/t4-,5-,6-,7-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.9947 kcal/mol

Physical Properties
Molecular Weight: 262.222 g/mol	logS: 0.27195	SlogP: -3.5046	Reactive groups: 0

Topological Properties
Globularity: 0.115047	Sterimol/B1: 2.79982	Sterimol/B2: 2.96039	Sterimol/B3: 4.09249
Sterimol/B4: 5.52848	Sterimol/L: 14.5262

Surface and Volume Properties
Accessible surface: 457.76	Positive charged surface: 323.856	Negative charged surface: 133.904	Volume: 215.875
Hydrophobic surface: 114.69	Hydrophilic surface: 343.07

Pharmacophoric Properties
Hydrogen bond donors: 5	Hydrogen bond acceptors: 7	Acid groups: 0	Basic groups: 0
Chiral centers: 4

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 0

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Ions/Tautomers related molecules

MMs03206794
PUBCHEM-ZINC05131882